N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide

C16H12Cl2N4O3 — CID 71111478

IUPACN-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2cc(O)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C16H12Cl2N4O3/c1-7-11(6-25-22-7)16(24)21-13-3-2-9(15(19)20-13)10-4-8(23)5-12(17)14(10)18/h2-6,23H,1H3,(H3,19,20,21,24)
InChIKeyCCXBIMAODBTSGY-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.89
Rot. Bonds3

About N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71111478) has the molecular formula C16H12Cl2N4O3 and a molecular weight of 379.20 g/mol. Its IUPAC name is N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID71111478
Molecular FormulaC16H12Cl2N4O3
Molecular Weight379.20 g/mol
Exact Mass378.03
IUPAC NameN-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2cc(O)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C16H12Cl2N4O3/c1-7-11(6-25-22-7)16(24)21-13-3-2-9(15(19)20-13)10-4-8(23)5-12(17)14(10)18/h2-6,23H,1H3,(H3,19,20,21,24)
InChIKeyCCXBIMAODBTSGY-UHFFFAOYSA-N
XLogP3.89
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155703
N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71111296
N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155167
N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 25155961
N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 67400764
N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide
CID 71111427
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-(2,4-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857168
N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857256
3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110858115
N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide
CID 121381941
N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
CID 25156248

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 71111478) is N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1ccc(-c2cc(O)cc(Cl)c2Cl)c(N)n1.
What is the InChIKey of N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CCXBIMAODBTSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3/c1-7-11(6-25-22-7)16(24)21-13-3-2-9(15(19)20-13)10-4-8(23)5-12(17)14(10)18/h2-6,23H,1H3,(H3,19,20,21,24).
What are the key properties of N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 379.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71111478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).