N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide

C21H20ClN3O3 — CID 55467217

IUPACN-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3/c1-13-17(14(2)28-25-13)11-12-20(26)24-19-6-4-3-5-18(19)21(27)23-16-9-7-15(22)8-10-16/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyTYCNKBWGRDTEMT-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.77
Rot. Bonds6

About N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide

N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide (PubChem CID 55467217) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide
PubChem CID55467217
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3/c1-13-17(14(2)28-25-13)11-12-20(26)24-19-6-4-3-5-18(19)21(27)23-16-9-7-15(22)8-10-16/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyTYCNKBWGRDTEMT-UHFFFAOYSA-N
XLogP4.77
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466376
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide
CID 8624261
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzoic acid
CID 119164210
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61221265
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-fluorophenyl)thiourea
CID 8635666
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 38749303
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 35371590
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide (CID 55467217) is N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide is Cc1noc(C)c1CCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide?
The InChIKey is TYCNKBWGRDTEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-17(14(2)28-25-13)11-12-20(26)24-19-6-4-3-5-18(19)21(27)23-16-9-7-15(22)8-10-16/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide?
N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide has a molecular weight of 397.86 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide is sourced from PubChem (CID 55467217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).