N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide

C18H13N3O3 — CID 38467191

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H13N3O3/c22-17(12-3-6-14(7-4-12)21-9-1-2-10-21)19-13-5-8-16-15(11-13)20-18(23)24-16/h1-11H,(H,19,22)(H,20,23)
InChIKeyDRKCYUYOGRKDEG-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.16
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 38467191) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
PubChem CID38467191
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H13N3O3/c22-17(12-3-6-14(7-4-12)21-9-1-2-10-21)19-13-5-8-16-15(11-13)20-18(23)24-16/h1-11H,(H,19,22)(H,20,23)
InChIKeyDRKCYUYOGRKDEG-UHFFFAOYSA-N
XLogP3.16
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 26645123
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 166382068
1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide
CID 134020024
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 110342164
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide (CID 38467191) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is DRKCYUYOGRKDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-17(12-3-6-14(7-4-12)21-9-1-2-10-21)19-13-5-8-16-15(11-13)20-18(23)24-16/h1-11H,(H,19,22)(H,20,23).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 319.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 38467191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).