N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

C20H24N2O3 — CID 111426071

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C20H24N2O3/c23-16(13-6-4-5-7-13)12-21-19(24)17-18(14-10-11-14)25-20(22-17)15-8-2-1-3-9-15/h1-3,8-9,13-14,16,23H,4-7,10-12H2,(H,21,24)
InChIKeyFCDCPOXIFHUTKC-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.50
Rot. Bonds6

About N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 111426071) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID111426071
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C20H24N2O3/c23-16(13-6-4-5-7-13)12-21-19(24)17-18(14-10-11-14)25-20(22-17)15-8-2-1-3-9-15/h1-3,8-9,13-14,16,23H,4-7,10-12H2,(H,21,24)
InChIKeyFCDCPOXIFHUTKC-UHFFFAOYSA-N
XLogP3.50
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
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-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
CID 99621538
5-cyclopropyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 86875245
5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841042
5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 102560873
N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide
CID 111425839
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86903484
5-cyclopropyl-N,2-diphenyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 86967765
N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841134
5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 98293867

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 111426071) is N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is O=C(NCC(O)C1CCCC1)c1nc(-c2ccccc2)oc1C1CC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is FCDCPOXIFHUTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-16(13-6-4-5-7-13)12-21-19(24)17-18(14-10-11-14)25-20(22-17)15-8-2-1-3-9-15/h1-3,8-9,13-14,16,23H,4-7,10-12H2,(H,21,24).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 111426071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).