N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide

C26H29N3O3 — CID 3210627

IUPACN-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2c(C)noc2C)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3/c1-17-13-15-20(16-14-17)24(25(30)27-21-9-7-8-10-21)29(22-11-5-4-6-12-22)26(31)23-18(2)28-32-19(23)3/h4-6,11-16,21,24H,7-10H2,1-3H3,(H,27,30)
InChIKeyBCOZUJBUHLGAKI-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.05
Rot. Bonds6

About N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide

N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 3210627) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
PubChem CID3210627
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2c(C)noc2C)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3/c1-17-13-15-20(16-14-17)24(25(30)27-21-9-7-8-10-21)29(22-11-5-4-6-12-22)26(31)23-18(2)28-32-19(23)3/h4-6,11-16,21,24H,7-10H2,1-3H3,(H,27,30)
InChIKeyBCOZUJBUHLGAKI-UHFFFAOYSA-N
XLogP5.05
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
CID 3210626
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 3231439
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180640
N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide
CID 4177936
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-phenylfuran-2-carboxamide
CID 3196554
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868
(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
CID 94233334
N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide
CID 4177926
N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 25410089

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide (CID 3210627) is N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide is Cc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2c(C)noc2C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is BCOZUJBUHLGAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-13-15-20(16-14-17)24(25(30)27-21-9-7-8-10-21)29(22-11-5-4-6-12-22)26(31)23-18(2)28-32-19(23)3/h4-6,11-16,21,24H,7-10H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3210627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).