N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide

C17H22N2O3 — CID 135973104

IUPACN-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESO=C(CC1CC(c2ccc(O)cc2)=NO1)NC1CCCCC1
InChIInChI=1S/C17H22N2O3/c20-14-8-6-12(7-9-14)16-10-15(22-19-16)11-17(21)18-13-4-2-1-3-5-13/h6-9,13,15,20H,1-5,10-11H2,(H,18,21)
InChIKeyNPRDDTRQFQLSBV-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.72
Rot. Bonds4

About N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide

N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide (PubChem CID 135973104) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide
PubChem CID135973104
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESO=C(CC1CC(c2ccc(O)cc2)=NO1)NC1CCCCC1
InChIInChI=1S/C17H22N2O3/c20-14-8-6-12(7-9-14)16-10-15(22-19-16)11-17(21)18-13-4-2-1-3-5-13/h6-9,13,15,20H,1-5,10-11H2,(H,18,21)
InChIKeyNPRDDTRQFQLSBV-UHFFFAOYSA-N
XLogP2.72
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-3-(3-fluoro-4-hydroxyphenyl)-N-[2-[2-[[(2E)-3-(3-fluoro-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldiselanyl]ethyl]-2-hydroxyiminopropanamide
CID 142589384
3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2962271
(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-hydroxyphenyl)propanamide
CID 53258999
Tert-butyl 4-(2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamido)butylcarbamate
CID 136043745
4-fluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)benzamide
CID 135966063
N-(4-aminobutyl)-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 136043748
5-[(4-Hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one
CID 146036956
N-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)pivalamide
CID 135965914
2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)acetamide
CID 135966020
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pivalamide
CID 135966062
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)-3-methylbutanamide
CID 136123461
N-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-methylbutanamide
CID 136123462

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide (CID 135973104) is N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide is O=C(CC1CC(c2ccc(O)cc2)=NO1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The InChIKey is NPRDDTRQFQLSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-14-8-6-12(7-9-14)16-10-15(22-19-16)11-17(21)18-13-4-2-1-3-5-13/h6-9,13,15,20H,1-5,10-11H2,(H,18,21).
What are the key properties of N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 135973104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).