N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide

C17H18F2N2O2 — CID 127701866

IUPACN-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1(c2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C17H18F2N2O2/c1-11-15(20-10-23-11)16(22)21-17(7-3-2-4-8-17)13-6-5-12(18)9-14(13)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)
InChIKeyAFKQGNMEWFZOEO-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.85
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 127701866) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID127701866
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1(c2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C17H18F2N2O2/c1-11-15(20-10-23-11)16(22)21-17(7-3-2-4-8-17)13-6-5-12(18)9-14(13)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)
InChIKeyAFKQGNMEWFZOEO-UHFFFAOYSA-N
XLogP3.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide
CID 139007664
5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311
N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
CID 136534009
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 75393612
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75393613
1-[2-[[1-(2,4-difluorophenyl)cyclobutyl]amino]pyrimidin-5-yl]ethanone
CID 163957565
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-[1-(2,4-difluorophenyl)cyclobutyl]urea
CID 167926335
ethyl 2-[[1-(2,4-difluorophenyl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 129033012
4-[[1-(2,4-difluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110481806
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688
(2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide
CID 166322054
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 136554323

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 127701866) is N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC1(c2ccc(F)cc2F)CCCCC1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is AFKQGNMEWFZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11-15(20-10-23-11)16(22)21-17(7-3-2-4-8-17)13-6-5-12(18)9-14(13)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22).
What are the key properties of N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 127701866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).