N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide

C20H17N3O4 — CID 134020077

IUPACN-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C20H17N3O4/c24-18(21-15-8-9-17-16(11-15)23-20(26)27-17)10-3-12-1-4-13(5-2-12)19(25)22-14-6-7-14/h1-5,8-11,14H,6-7H2,(H,21,24)(H,22,25)(H,23,26)/b10-3+
InChIKeyCAPSHCNPSGJMQB-XCVCLJGOSA-N
MW363.37 g/mol
LogP2.67
Rot. Bonds5

About N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide (PubChem CID 134020077) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide
PubChem CID134020077
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C20H17N3O4/c24-18(21-15-8-9-17-16(11-15)23-20(26)27-17)10-3-12-1-4-13(5-2-12)19(25)22-14-6-7-14/h1-5,8-11,14H,6-7H2,(H,21,24)(H,22,25)(H,23,26)/b10-3+
InChIKeyCAPSHCNPSGJMQB-XCVCLJGOSA-N
XLogP2.67
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 46568917
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N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881
N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide
CID 110411159
N-cyclopropyl-4-[(E)-3-(4-methylsulfanylanilino)-3-oxoprop-1-enyl]benzamide
CID 35736991
4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55564049
N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
CID 35504273
N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
N-cyclopropyl-4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzamide
CID 35556282
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
4-[(E)-3-[3-(cyanomethoxy)anilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55800283
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide (CID 134020077) is N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide is O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide?
The InChIKey is CAPSHCNPSGJMQB-XCVCLJGOSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-18(21-15-8-9-17-16(11-15)23-20(26)27-17)10-3-12-1-4-13(5-2-12)19(25)22-14-6-7-14/h1-5,8-11,14H,6-7H2,(H,21,24)(H,22,25)(H,23,26)/b10-3+.
What are the key properties of N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide has a molecular weight of 363.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide is sourced from PubChem (CID 134020077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).