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

C17H20N2O3 — CID 3686576

IUPACN-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCCCC3)no2)c1
InChIInChI=1S/C17H20N2O3/c1-21-14-9-5-6-12(10-14)16-11-15(19-22-16)17(20)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyNYWBPJDWKJODAV-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.41
Rot. Bonds4

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

N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3686576) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3686576
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCCCC3)no2)c1
InChIInChI=1S/C17H20N2O3/c1-21-14-9-5-6-12(10-14)16-11-15(19-22-16)17(20)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyNYWBPJDWKJODAV-UHFFFAOYSA-N
XLogP3.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk481
CID 90351311
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
5-(4-Methoxyphenyl)-3-[(pyrrolidin-1-yl)carbonyl]-1,2-oxazole
CID 6619182
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093785
5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 1093865
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118796836

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3686576) is N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NC3CCCCC3)no2)c1.
What is the InChIKey of N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NYWBPJDWKJODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-14-9-5-6-12(10-14)16-11-15(19-22-16)17(20)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3686576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).