N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide

C17H19FN2O2 — CID 132968647

IUPACN-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCCCC1)c1ccon1
InChIInChI=1S/C17H19FN2O2/c18-14-6-4-5-13(11-14)17(8-2-1-3-9-17)12-19-16(21)15-7-10-22-20-15/h4-7,10-11H,1-3,8-9,12H2,(H,19,21)
InChIKeyKIXLGAMOTNAVDR-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.45
Rot. Bonds4

About N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide

N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 132968647) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID132968647
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCCCC1)c1ccon1
InChIInChI=1S/C17H19FN2O2/c18-14-6-4-5-13(11-14)17(8-2-1-3-9-17)12-19-16(21)15-7-10-22-20-15/h4-7,10-11H,1-3,8-9,12H2,(H,19,21)
InChIKeyKIXLGAMOTNAVDR-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77090690
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125157021
2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956961
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46972124
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
2-[[ethylamino-[[1-(3-fluorophenyl)cyclohexyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364683
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 126785835

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide (CID 132968647) is N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1(c2cccc(F)c2)CCCCC1)c1ccon1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KIXLGAMOTNAVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-6-4-5-13(11-14)17(8-2-1-3-9-17)12-19-16(21)15-7-10-22-20-15/h4-7,10-11H,1-3,8-9,12H2,(H,19,21).
What are the key properties of N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 132968647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).