3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C17H14N4O3 — CID 37162962

IUPAC3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H14N4O3/c22-16(8-7-15-19-11-3-1-2-4-12(11)20-15)18-10-5-6-14-13(9-10)21-17(23)24-14/h1-6,9H,7-8H2,(H,18,22)(H,19,20)(H,21,23)
InChIKeyJXMATJTTWRLOLI-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.57
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 37162962) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID37162962
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H14N4O3/c22-16(8-7-15-19-11-3-1-2-4-12(11)20-15)18-10-5-6-14-13(9-10)21-17(23)24-14/h1-6,9H,7-8H2,(H,18,22)(H,19,20)(H,21,23)
InChIKeyJXMATJTTWRLOLI-UHFFFAOYSA-N
XLogP2.57
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 46664947
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide
CID 75425455
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 38466657
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 37162962) is 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is JXMATJTTWRLOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-16(8-7-15-19-11-3-1-2-4-12(11)20-15)18-10-5-6-14-13(9-10)21-17(23)24-14/h1-6,9H,7-8H2,(H,18,22)(H,19,20)(H,21,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 322.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 37162962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).