N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

C23H21N3O2 — CID 86841134

IUPACN-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(C)(C#N)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1
InChIInChI=1S/C23H21N3O2/c1-23(2,14-24)17-10-12-18(13-11-17)25-21(27)19-20(15-8-9-15)28-22(26-19)16-6-4-3-5-7-16/h3-7,10-13,15H,8-9H2,1-2H3,(H,25,27)
InChIKeyJPOZUGSFSFQMJB-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.27
Rot. Bonds5

About N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86841134) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86841134
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(C)(C#N)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1
InChIInChI=1S/C23H21N3O2/c1-23(2,14-24)17-10-12-18(13-11-17)25-21(27)19-20(15-8-9-15)28-22(26-19)16-6-4-3-5-7-16/h3-7,10-13,15H,8-9H2,1-2H3,(H,25,27)
InChIKeyJPOZUGSFSFQMJB-UHFFFAOYSA-N
XLogP5.27
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841240
5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840963
5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86878680
N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840936
ethyl 1-[4-[(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 86841285
N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86887849
N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 111426071
5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 98293867
5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 86873520
5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
CID 99621538
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86903484
5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841160

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 86841134) is N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is CC(C)(C#N)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is JPOZUGSFSFQMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-23(2,14-24)17-10-12-18(13-11-17)25-21(27)19-20(15-8-9-15)28-22(26-19)16-6-4-3-5-7-16/h3-7,10-13,15H,8-9H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86841134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).