N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide

C21H19N3O3 — CID 131933853

IUPACN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cnoc2-c2ccccc2)cc1)NC1CC1
InChIInChI=1S/C21H19N3O3/c25-19(23-16-10-11-16)12-14-6-8-17(9-7-14)24-21(26)18-13-22-27-20(18)15-4-2-1-3-5-15/h1-9,13,16H,10-12H2,(H,23,25)(H,24,26)
InChIKeyHKAMJDLUFFPMQC-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.41
Rot. Bonds6

About N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 131933853) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID131933853
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cnoc2-c2ccccc2)cc1)NC1CC1
InChIInChI=1S/C21H19N3O3/c25-19(23-16-10-11-16)12-14-6-8-17(9-7-14)24-21(26)18-13-22-27-20(18)15-4-2-1-3-5-15/h1-9,13,16H,10-12H2,(H,23,25)(H,24,26)
InChIKeyHKAMJDLUFFPMQC-UHFFFAOYSA-N
XLogP3.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide
CID 131939372
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 110409938
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
N-[4-(cyclopropylcarbamoyl)phenyl]-2-phenylbenzamide
CID 51299795
5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide
CID 126450711
N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110650714
N-cyclopropyl-2-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]phenyl]acetamide
CID 131897959
N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110651346
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 131889426
5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110650836

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide (CID 131933853) is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide is O=C(Cc1ccc(NC(=O)c2cnoc2-c2ccccc2)cc1)NC1CC1.
What is the InChIKey of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is HKAMJDLUFFPMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-19(23-16-10-11-16)12-14-6-8-17(9-7-14)24-21(26)18-13-22-27-20(18)15-4-2-1-3-5-15/h1-9,13,16H,10-12H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide?
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131933853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).