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

C16H20N2O3 — CID 3158138

IUPACN-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C16H20N2O3/c19-14-9-5-4-8-12(14)13-10-15(21-18-13)16(20)17-11-6-2-1-3-7-11/h4-5,8-9,11,15,19H,1-3,6-7,10H2,(H,17,20)
InChIKeyGKAZUERCSPBFMR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.33
Rot. Bonds3

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

N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3158138) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3158138
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C16H20N2O3/c19-14-9-5-4-8-12(14)13-10-15(21-18-13)16(20)17-11-6-2-1-3-7-11/h4-5,8-9,11,15,19H,1-3,6-7,10H2,(H,17,20)
InChIKeyGKAZUERCSPBFMR-UHFFFAOYSA-N
XLogP2.33
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2962271
2-[5-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-4,5-dihydro-3-isoxazolyl]phenol
CID 2962275
[3-(2-Hydroxy-phenyl)-4,5-dihydro-isoxazol-5-yl]-piperidin-1-yl-methanone
CID 3158142
N-cyclohexyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3237669
2-[5-(1-Pyrrolidinylcarbonyl)-4,5-dihydro-3-isoxazolyl]phenol
CID 2962273
(3,4-Dihydro-1H-isoquinolin-2-yl)-[3-(2-hydroxy-phenyl)-4,5-dihydro-isoxazol-5-yl]-methanone
CID 3158147
N-cyclohexyl-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 135973104
N-(4-aminobutyl)-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 136043748
N-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)pivalamide
CID 135965914
N-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-methylbutanamide
CID 136123462
N-cyclopentyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6622612
N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095652

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3158138) is N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCCCC1)C1CC(c2ccccc2O)=NO1.
What is the InChIKey of N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GKAZUERCSPBFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14-9-5-4-8-12(14)13-10-15(21-18-13)16(20)17-11-6-2-1-3-7-11/h4-5,8-9,11,15,19H,1-3,6-7,10H2,(H,17,20).
What are the key properties of N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3158138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).