N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide

C19H17N3O3 — CID 97238400

IUPACN-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
SMILESC[C@](C#N)(CCc1ccccc1)NC(=O)c1ncoc1-c1ccco1
InChIInChI=1S/C19H17N3O3/c1-19(12-20,10-9-14-6-3-2-4-7-14)22-18(23)16-17(25-13-21-16)15-8-5-11-24-15/h2-8,11,13H,9-10H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyUXOYMLLCMLWQHA-LJQANCHMSA-N
MW335.36 g/mol
LogP3.58
Rot. Bonds6

About N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide

N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 97238400) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID97238400
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
SMILESC[C@](C#N)(CCc1ccccc1)NC(=O)c1ncoc1-c1ccco1
InChIInChI=1S/C19H17N3O3/c1-19(12-20,10-9-14-6-3-2-4-7-14)22-18(23)16-17(25-13-21-16)15-8-5-11-24-15/h2-8,11,13H,9-10H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyUXOYMLLCMLWQHA-LJQANCHMSA-N
XLogP3.58
TPSA92.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75381879
2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768758
3-tert-butyl-N-(2-cyano-4-phenylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 71967815
N-(2-cyano-4-phenylbutan-2-yl)-3-methylsulfonylpropanamide
CID 75381878
N-(1-tert-butylpiperidin-4-yl)-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 86950757
5-(furan-2-yl)-3-methyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 46093897
N-(2-cyanopropan-2-yl)-3-phenylpropanamide
CID 55029032
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 86950986
N-(1-cyano-1-hydroxy-3-phenylpropyl)acetamide
CID 141033040
5-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 51492681
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 95351210
2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile
CID 60990377

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide (CID 97238400) is N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide is C[C@](C#N)(CCc1ccccc1)NC(=O)c1ncoc1-c1ccco1.
What is the InChIKey of N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is UXOYMLLCMLWQHA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-19(12-20,10-9-14-6-3-2-4-7-14)22-18(23)16-17(25-13-21-16)15-8-5-11-24-15/h2-8,11,13H,9-10H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide?
N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97238400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).