N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide

C108H81N27O16S2 — CID 158139319

IUPACN-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1cc(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccc3C(N)=O)c2O)no1.Cc1noc(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccn3)c2O)c1C.Cc1nsc(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccc3)c2O)c1C(N)=O.NC(=O)c1c(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccc3)c2O)cnn1-c1nccs1.O=C(Nc1ccccn1)c1c(O)c(/N=N/c2cnoc2)cc2ccccc12
InChIInChI=1S/C24H17N7O3S.C22H17N5O4.C22H17N5O3S.C21H17N5O3.C19H13N5O3/c25-22(33)20-18(13-27-31(20)24-26-10-11-35-24)30-29-17-12-14-6-4-5-9-16(14)19(21(17)32)23(34)28-15-7-2-1-3-8-15;1-12-10-18(27-31-12)26-25-17-11-13-6-2-3-7-14(13)19(20(17)28)22(30)24-16-9-5-4-8-15(16)21(23)29;1-12-17(20(23)29)22(31-27-12)26-25-16-11-13-7-5-6-10-15(13)18(19(16)28)21(30)24-14-8-3-2-4-9-14;1-12-13(2)26-29-21(12)25-24-16-11-14-7-3-4-8-15(14)18(19(16)27)20(28)23-17-9-5-6-10-22-17;25-18-15(24-23-13-10-21-27-11-13)9-12-5-1-2-6-14(12)17(18)19(26)22-16-7-3-4-8-20-16/h1-13,32H,(H2,25,33)(H,28,34);2*2-11,28H,1H3,(H2,23,29)(H,24,30);3-11,27H,1-2H3,(H,22,23,28);1-11,25H,(H,20,22,26)/b30-29+;2*26-25+;25-24+;24-23+
InChIKeyFTSZSCMLOWCFRZ-MQLTVTBBSA-N
MW2077.14 g/mol
LogP24.45
Rot. Bonds24

About N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide

N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 158139319) has the molecular formula C108H81N27O16S2 and a molecular weight of 2077.14 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID158139319
Molecular FormulaC108H81N27O16S2
Molecular Weight2077.14 g/mol
Exact Mass2075.58
IUPAC NameN-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1cc(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccc3C(N)=O)c2O)no1.Cc1noc(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccn3)c2O)c1C.Cc1nsc(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccc3)c2O)c1C(N)=O.NC(=O)c1c(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccc3)c2O)cnn1-c1nccs1.O=C(Nc1ccccn1)c1c(O)c(/N=N/c2cnoc2)cc2ccccc12
InChIInChI=1S/C24H17N7O3S.C22H17N5O4.C22H17N5O3S.C21H17N5O3.C19H13N5O3/c25-22(33)20-18(13-27-31(20)24-26-10-11-35-24)30-29-17-12-14-6-4-5-9-16(14)19(21(17)32)23(34)28-15-7-2-1-3-8-15;1-12-10-18(27-31-12)26-25-17-11-13-6-2-3-7-14(13)19(20(17)28)22(30)24-16-9-5-4-8-15(16)21(23)29;1-12-17(20(23)29)22(31-27-12)26-25-16-11-13-7-5-6-10-15(13)18(19(16)28)21(30)24-14-8-3-2-4-9-14;1-12-13(2)26-29-21(12)25-24-16-11-14-7-3-4-8-15(14)18(19(16)27)20(28)23-17-9-5-6-10-22-17;25-18-15(24-23-13-10-21-27-11-13)9-12-5-1-2-6-14(12)17(18)19(26)22-16-7-3-4-8-20-16/h1-13,32H,(H2,25,33)(H,28,34);2*2-11,28H,1H3,(H2,23,29)(H,24,30);3-11,27H,1-2H3,(H,22,23,28);1-11,25H,(H,20,22,26)/b30-29+;2*26-25+;25-24+;24-23+
InChIKeyFTSZSCMLOWCFRZ-MQLTVTBBSA-N
XLogP24.45
TPSA646.99 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002077.14
LogP ≤ 524.45
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 158139319) is N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide is Cc1cc(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccc3C(N)=O)c2O)no1.Cc1noc(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccn3)c2O)c1C.Cc1nsc(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccc3)c2O)c1C(N)=O.NC(=O)c1c(/N=N/c2cc3ccccc3c(C(=O)Nc3ccccc3)c2O)cnn1-c1nccs1.O=C(Nc1ccccn1)c1c(O)c(/N=N/c2cnoc2)cc2ccccc12.
What is the InChIKey of N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is FTSZSCMLOWCFRZ-MQLTVTBBSA-N. The full InChI is InChI=1S/C24H17N7O3S.C22H17N5O4.C22H17N5O3S.C21H17N5O3.C19H13N5O3/c25-22(33)20-18(13-27-31(20)24-26-10-11-35-24)30-29-17-12-14-6-4-5-9-16(14)19(21(17)32)23(34)28-15-7-2-1-3-8-15;1-12-10-18(27-31-12)26-25-17-11-13-6-2-3-7-14(13)19(20(17)28)22(30)24-16-9-5-4-8-15(16)21(23)29;1-12-17(20(23)29)22(31-27-12)26-25-16-11-13-7-5-6-10-15(13)18(19(16)28)21(30)24-14-8-3-2-4-9-14;1-12-13(2)26-29-21(12)25-24-16-11-14-7-3-4-8-15(14)18(19(16)27)20(28)23-17-9-5-6-10-22-17;25-18-15(24-23-13-10-21-27-11-13)9-12-5-1-2-6-14(12)17(18)19(26)22-16-7-3-4-8-20-16/h1-13,32H,(H2,25,33)(H,28,34);2*2-11,28H,1H3,(H2,23,29)(H,24,30);3-11,27H,1-2H3,(H,22,23,28);1-11,25H,(H,20,22,26)/b30-29+;2*26-25+;25-24+;24-23+.
What are the key properties of N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 2077.14 g/mol, XLogP of 24.45, 24 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)diazenyl]naphthalene-1-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)diazenyl]-2-hydroxy-N-pyridin-2-ylnaphthalene-1-carboxamide;2-hydroxy-3-(1,2-oxazol-4-yldiazenyl)-N-pyridin-2-ylnaphthalene-1-carboxamide;5-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-3-methyl-1,2-thiazole-4-carboxamide;4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]-1-(1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 158139319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).