(2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid

C17H22N2O3 — CID 68884210

IUPAC(2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid
SMILESCC1ON(C2CCCCC2)C(c2ccccc2)=C1NC(=O)O
InChIInChI=1S/C17H22N2O3/c1-12-15(18-17(20)21)16(13-8-4-2-5-9-13)19(22-12)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,18H,3,6-7,10-11H2,1H3,(H,20,21)
InChIKeyKMSDIWCVYAXCAH-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.59
Rot. Bonds3

About (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid

(2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid (PubChem CID 68884210) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid.

Molecular Properties

Compound Name(2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid
PubChem CID68884210
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid
SMILESCC1ON(C2CCCCC2)C(c2ccccc2)=C1NC(=O)O
InChIInChI=1S/C17H22N2O3/c1-12-15(18-17(20)21)16(13-8-4-2-5-9-13)19(22-12)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,18H,3,6-7,10-11H2,1H3,(H,20,21)
InChIKeyKMSDIWCVYAXCAH-UHFFFAOYSA-N
XLogP3.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Aminocyclopent-3-en-1-yl)oxy-benzylcarbamic acid
CID 20444476
[(1R,2S)-2-aminocyclopent-3-en-1-yl]oxy-benzylcarbamic acid
CID 22815021
[(1R)-2-aminocyclopent-3-en-1-yl]oxy-benzylcarbamic acid
CID 22816567
[(1S,2R)-2-aminocyclopent-3-en-1-yl]oxy-benzylcarbamic acid
CID 54437904
N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide
CID 54558340
methyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
CID 57118805
methyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
CID 57158589
methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
CID 57245026
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate
CID 90829383
[(3S,4R)-4-[benzyl(hydroxy)amino]hexan-3-yl] N-tert-butylcarbamate
CID 140230478
tert-butyl N-[1-benzyl-6-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate
CID 142425861
(2-Benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid
CID 151828813

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid?
The IUPAC name of (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid (CID 68884210) is (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid.
What is the SMILES notation for (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid?
The canonical SMILES for (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid is CC1ON(C2CCCCC2)C(c2ccccc2)=C1NC(=O)O.
What is the InChIKey of (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid?
The InChIKey is KMSDIWCVYAXCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-15(18-17(20)21)16(13-8-4-2-5-9-13)19(22-12)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,18H,3,6-7,10-11H2,1H3,(H,20,21).
What are the key properties of (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid?
(2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid has a molecular weight of 302.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-5-methyl-3-phenyl-5H-1,2-oxazol-4-yl)carbamic acid is sourced from PubChem (CID 68884210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).