[5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone

C17H21NO2 — CID 11459946

IUPAC[5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone
SMILESO=C(C1=NOC(CC2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C17H21NO2/c19-17(14-9-5-2-6-10-14)16-12-15(20-18-16)11-13-7-3-1-4-8-13/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2
InChIKeyILMOQFYPCVPLJC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.98
Rot. Bonds4

About [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone

[5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone (PubChem CID 11459946) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone
PubChem CID11459946
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone
SMILESO=C(C1=NOC(CC2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C17H21NO2/c19-17(14-9-5-2-6-10-14)16-12-15(20-18-16)11-13-7-3-1-4-8-13/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2
InChIKeyILMOQFYPCVPLJC-UHFFFAOYSA-N
XLogP3.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
3-Phenyl-4-benzoyl-5-isoxazolone
CID 3656450
Xeppcvkkxlbyar-uhfffaoysa-
CID 13334008
3-Benzoyl-4,5-dihydro-5-isoxazoleacetonitrile
CID 13809952
3a,4,5,6,7,7a-Hexahydro-1,2-benzoxazol-3-yl(phenyl)methanone
CID 85954010
[5-(Chloromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone
CID 101550840
1-[3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096132
1-[3-(2-fluoro-4-methylphenyl)-5-[5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methylpropan-1-one
CID 118476321
1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(3,5-difluorophenyl)ethanone
CID 141000614
1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone
CID 141014350
1-(4-fluorophenyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pentane-1,5-dione
CID 141186836
Methanone, [4,5-dihydro-5-(phenylmethyl)-3-isoxazolyl]phenyl-
CID 11414425

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone?
The IUPAC name of [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone (CID 11459946) is [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone.
What is the SMILES notation for [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone?
The canonical SMILES for [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone is O=C(C1=NOC(CC2CCCCC2)C1)c1ccccc1.
What is the InChIKey of [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone?
The InChIKey is ILMOQFYPCVPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(14-9-5-2-6-10-14)16-12-15(20-18-16)11-13-7-3-1-4-8-13/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2.
What are the key properties of [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone?
[5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone has a molecular weight of 271.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone is sourced from PubChem (CID 11459946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).