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

C16H18N2O3 — CID 135573172

IUPACN-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2O)on1
InChIInChI=1S/C16H18N2O3/c19-14-9-5-4-8-12(14)15-10-13(18-21-15)16(20)17-11-6-2-1-3-7-11/h4-5,8-11,19H,1-3,6-7H2,(H,17,20)
InChIKeyVVGWSNCPLCBNCY-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.11
Rot. Bonds3

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

N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 135573172) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID135573172
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2O)on1
InChIInChI=1S/C16H18N2O3/c19-14-9-5-4-8-12(14)15-10-13(18-21-15)16(20)17-11-6-2-1-3-7-11/h4-5,8-11,19H,1-3,6-7H2,(H,17,20)
InChIKeyVVGWSNCPLCBNCY-UHFFFAOYSA-N
XLogP3.11
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2,4-Dihydroxy-6-(4-Nitrophenoxy)phenyl]-N-Ethyl-1,2-Oxazole-3-Carboxamide
CID 135566656
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
(R)-N-(2,3-Dihydro-1H-inden-1-yl)-5-(4-(dimethylcarbamoyl)-3-hydroxyphenyl)isoxazole-3-carboxamide
CID 155925909
4-{4-[(diethylamino)methyl]phenyl}-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135404982
4-{4-[(diethylamino)methyl]phenyl}-5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 135404994
5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135517488
5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135545849
5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135749945
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 135573172) is N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(NC1CCCCC1)c1cc(-c2ccccc2O)on1.
What is the InChIKey of N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VVGWSNCPLCBNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-9-5-4-8-12(14)15-10-13(18-21-15)16(20)17-11-6-2-1-3-7-11/h4-5,8-11,19H,1-3,6-7H2,(H,17,20).
What are the key properties of N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135573172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).