N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide

C18H21N3O2 — CID 75381879

IUPACN-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC(C)(C#N)CCc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13(2)16-15(20-12-23-16)17(22)21-18(3,11-19)10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-10H2,1-3H3,(H,21,22)
InChIKeyFYVJKIFOCLLAPF-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.44
Rot. Bonds6

About N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 75381879) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID75381879
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC(C)(C#N)CCc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13(2)16-15(20-12-23-16)17(22)21-18(3,11-19)10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-10H2,1-3H3,(H,21,22)
InChIKeyFYVJKIFOCLLAPF-UHFFFAOYSA-N
XLogP3.44
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 97238400
4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid
CID 71875590
3-tert-butyl-N-(2-cyano-4-phenylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 71967815
5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide
CID 96515487
5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 86963264
benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 170414122
N-(2-cyano-4-phenylbutan-2-yl)-3-methylsulfonylpropanamide
CID 75381878
N-(1-cyano-1-hydroxy-3-phenylpropyl)acetamide
CID 141033040
N-(2-cyanopropan-2-yl)-3-phenylpropanamide
CID 55029032
benzyl N-[(2R)-2-cyano-4-fluorobutan-2-yl]carbamate
CID 129412139
2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile
CID 60990377
2,2-diethyl-4-phenylbutanenitrile
CID 82138721

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 75381879) is N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NC(C)(C#N)CCc1ccccc1.
What is the InChIKey of N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is FYVJKIFOCLLAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)16-15(20-12-23-16)17(22)21-18(3,11-19)10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-10H2,1-3H3,(H,21,22).
What are the key properties of N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75381879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).