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

C18H24N2O3 — CID 135973074

IUPACN-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)CC1CC(c2ccc(O)cc2)=NO1)C1CCCCC1
InChIInChI=1S/C18H24N2O3/c1-20(14-5-3-2-4-6-14)18(22)12-16-11-17(19-23-16)13-7-9-15(21)10-8-13/h7-10,14,16,21H,2-6,11-12H2,1H3
InChIKeyAPAOAGZOTFREKO-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.07
Rot. Bonds4

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

N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide (PubChem CID 135973074) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide
PubChem CID135973074
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)CC1CC(c2ccc(O)cc2)=NO1)C1CCCCC1
InChIInChI=1S/C18H24N2O3/c1-20(14-5-3-2-4-6-14)18(22)12-16-11-17(19-23-16)13-7-9-15(21)10-8-13/h7-10,14,16,21H,2-6,11-12H2,1H3
InChIKeyAPAOAGZOTFREKO-UHFFFAOYSA-N
XLogP3.07
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-Hydroxy-phenyl)-4,5-dihydro-isoxazol-5-yl]-piperidin-1-yl-methanone
CID 3158142
Tert-butyl 4-(2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamido)butylcarbamate
CID 136043745
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
1-(2-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pyrrolidine-2,5-dione
CID 135965913
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-cyclohexyl-3-(2-hydroxyphenyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 3158138
N-cyclohexyl-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095659
Methyl 4-[[2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]butanoate
CID 135973070
2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
CID 135973100
2-[3-(2-Fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
CID 135973111

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide (CID 135973074) is N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide is CN(C(=O)CC1CC(c2ccc(O)cc2)=NO1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide?
The InChIKey is APAOAGZOTFREKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20(14-5-3-2-4-6-14)18(22)12-16-11-17(19-23-16)13-7-9-15(21)10-8-13/h7-10,14,16,21H,2-6,11-12H2,1H3.
What are the key properties of N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide?
N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide has a molecular weight of 316.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 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]-N-methylacetamide is sourced from PubChem (CID 135973074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).