N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide

C17H18F2N2O3 — CID 139007664

IUPACN-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide
SMILESCCOc1nc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)co1
InChIInChI=1S/C17H18F2N2O3/c1-2-23-16-20-14(10-24-16)15(22)21-17(7-3-4-8-17)12-6-5-11(18)9-13(12)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)
InChIKeyIRXZEDOGZNRVHV-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.55
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide

N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide (PubChem CID 139007664) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide
PubChem CID139007664
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC NameN-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide
SMILESCCOc1nc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)co1
InChIInChI=1S/C17H18F2N2O3/c1-2-23-16-20-14(10-24-16)15(22)21-17(7-3-4-8-17)12-6-5-11(18)9-13(12)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)
InChIKeyIRXZEDOGZNRVHV-UHFFFAOYSA-N
XLogP3.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 127701866
5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311
ethyl 2-[[1-(2,4-difluorophenyl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 129033012
N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
CID 136534009
1-[2-[[1-(2,4-difluorophenyl)cyclobutyl]amino]pyrimidin-5-yl]ethanone
CID 163957565
(2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide
CID 166322054
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 75393612
4-[[1-(2,4-difluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110481806
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75393613
N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide
CID 122562392
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 136554323
ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
CID 110479350

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide (CID 139007664) is N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide is CCOc1nc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)co1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide?
The InChIKey is IRXZEDOGZNRVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-2-23-16-20-14(10-24-16)15(22)21-17(7-3-4-8-17)12-6-5-11(18)9-13(12)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22).
What are the key properties of N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide?
N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139007664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).