(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H19FN2O2 — CID 40638531

IUPAC(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CC(c2ccccc2F)=NO1
InChIInChI=1S/C16H19FN2O2/c17-13-9-5-4-8-12(13)14-10-15(21-19-14)16(20)18-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2,(H,18,20)/t15-/m0/s1
InChIKeyCIFPEPGCMKCDTQ-HNNXBMFYSA-N
MW290.34 g/mol
LogP2.77
Rot. Bonds3

About (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 40638531) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID40638531
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CC(c2ccccc2F)=NO1
InChIInChI=1S/C16H19FN2O2/c17-13-9-5-4-8-12(13)14-10-15(21-19-14)16(20)18-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2,(H,18,20)/t15-/m0/s1
InChIKeyCIFPEPGCMKCDTQ-HNNXBMFYSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093576
N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46489182
3-(2-fluorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869151
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687
(5R)-3-(2-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638520
(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966214
(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638542
3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869153
(5S)-3-(2-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638495
(5R)-N-cyclopropyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089743
N-cyclohexyl-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 101452103

Frequently Asked Questions

What is the IUPAC name of (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 40638531) is (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCCCC1)[C@@H]1CC(c2ccccc2F)=NO1.
What is the InChIKey of (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CIFPEPGCMKCDTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-13-9-5-4-8-12(13)14-10-15(21-19-14)16(20)18-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 40638531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).