N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C17H19N3O2 — CID 33354725

IUPACN-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C17H19N3O2/c1-10(2)16-15(12(4)20-22-16)17(21)19-11(3)14-7-5-13(9-18)6-8-14/h5-8,10-11H,1-4H3,(H,19,21)/t11-/m0/s1
InChIKeyPJAUSOFBBLOLRR-NSHDSACASA-N
MW297.36 g/mol
LogP3.47
Rot. Bonds4

About N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 33354725) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID33354725
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C17H19N3O2/c1-10(2)16-15(12(4)20-22-16)17(21)19-11(3)14-7-5-13(9-18)6-8-14/h5-8,10-11H,1-4H3,(H,19,21)/t11-/m0/s1
InChIKeyPJAUSOFBBLOLRR-NSHDSACASA-N
XLogP3.47
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39861861
3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 95318865
N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17218074
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103944559
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
CID 38288341
3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 46440611
N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17249884
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 51095638
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 33354725) is N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1.
What is the InChIKey of N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is PJAUSOFBBLOLRR-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(2)16-15(12(4)20-22-16)17(21)19-11(3)14-7-5-13(9-18)6-8-14/h5-8,10-11H,1-4H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 33354725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).