N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide

C34H26N6O7 — CID 129309510

IUPACN-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide
SMILESCOc1cc(-c2ccc3c(CNc4nc5cc(C(=O)NO)ccc5o4)cccc3c2)ccc1Nc1nc2cc(C(=O)NO)ccc2o1
InChIInChI=1S/C34H26N6O7/c1-45-30-16-19(6-10-25(30)36-34-38-27-15-22(32(42)40-44)8-12-29(27)47-34)18-5-9-24-20(13-18)3-2-4-23(24)17-35-33-37-26-14-21(31(41)39-43)7-11-28(26)46-33/h2-16,43-44H,17H2,1H3,(H,35,37)(H,36,38)(H,39,41)(H,40,42)
InChIKeyJXCGJJLFJMBYFH-UHFFFAOYSA-N
MW630.62 g/mol
LogP6.39
Rot. Bonds9

About N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide

N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide (PubChem CID 129309510) has the molecular formula C34H26N6O7 and a molecular weight of 630.62 g/mol. Its IUPAC name is N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide
PubChem CID129309510
Molecular FormulaC34H26N6O7
Molecular Weight630.62 g/mol
Exact Mass630.19
IUPAC NameN-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide
SMILESCOc1cc(-c2ccc3c(CNc4nc5cc(C(=O)NO)ccc5o4)cccc3c2)ccc1Nc1nc2cc(C(=O)NO)ccc2o1
InChIInChI=1S/C34H26N6O7/c1-45-30-16-19(6-10-25(30)36-34-38-27-15-22(32(42)40-44)8-12-29(27)47-34)18-5-9-24-20(13-18)3-2-4-23(24)17-35-33-37-26-14-21(31(41)39-43)7-11-28(26)46-33/h2-16,43-44H,17H2,1H3,(H,35,37)(H,36,38)(H,39,41)(H,40,42)
InChIKeyJXCGJJLFJMBYFH-UHFFFAOYSA-N
XLogP6.39
TPSA184.01 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500630.62
LogP ≤ 56.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide with MolForge

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Related Compounds

ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475762
2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129309352
N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388020
ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475760
N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methylthiophen-3-yl)-1,3-benzoxazol-2-amine
CID 178063621
ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate
CID 166475757
tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate
CID 168953639
2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129283536
2-[(3-chlorophenyl)methylamino]-1,3-benzoxazole-5-carboxylic acid
CID 69417924
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
methyl 2-(tert-butylamino)-1,3-benzoxazole-5-carboxylate
CID 71657876
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide (CID 129309510) is N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide is COc1cc(-c2ccc3c(CNc4nc5cc(C(=O)NO)ccc5o4)cccc3c2)ccc1Nc1nc2cc(C(=O)NO)ccc2o1.
What is the InChIKey of N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide?
The InChIKey is JXCGJJLFJMBYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N6O7/c1-45-30-16-19(6-10-25(30)36-34-38-27-15-22(32(42)40-44)8-12-29(27)47-34)18-5-9-24-20(13-18)3-2-4-23(24)17-35-33-37-26-14-21(31(41)39-43)7-11-28(26)46-33/h2-16,43-44H,17H2,1H3,(H,35,37)(H,36,38)(H,39,41)(H,40,42).
What are the key properties of N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide?
N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide has a molecular weight of 630.62 g/mol, XLogP of 6.39, 9 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 129309510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).