1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide

C13H11N3O3 — CID 134020024

IUPAC1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H11N3O3/c1-16-6-2-3-10(16)12(17)14-8-4-5-11-9(7-8)15-13(18)19-11/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyRVIUYKMMNBXMIP-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.71
Rot. Bonds2

About 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide

1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide (PubChem CID 134020024) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide
PubChem CID134020024
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H11N3O3/c1-16-6-2-3-10(16)12(17)14-8-4-5-11-9(7-8)15-13(18)19-11/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyRVIUYKMMNBXMIP-UHFFFAOYSA-N
XLogP1.71
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
5-[(1-methylpyrrol-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 62133508
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
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 134019747
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide
CID 134019850

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide (CID 134020024) is 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is RVIUYKMMNBXMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-16-6-2-3-10(16)12(17)14-8-4-5-11-9(7-8)15-13(18)19-11/h2-7H,1H3,(H,14,17)(H,15,18).
What are the key properties of 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide?
1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 134020024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).