N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide

C21H22N2O3 — CID 110641185

IUPACN-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cccc(C)c3)c(C)o2)cc1
InChIInChI=1S/C21H22N2O3/c1-14-5-4-6-17(13-14)20(24)22-12-11-19-15(2)26-21(23-19)16-7-9-18(25-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyJWFNMIIGFYURSC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.94
Rot. Bonds6

About N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide

N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide (PubChem CID 110641185) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide
PubChem CID110641185
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cccc(C)c3)c(C)o2)cc1
InChIInChI=1S/C21H22N2O3/c1-14-5-4-6-17(13-14)20(24)22-12-11-19-15(2)26-21(23-19)16-7-9-18(25-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyJWFNMIIGFYURSC-UHFFFAOYSA-N
XLogP3.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415245
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide
CID 110415136
2,6-dimethoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641191
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
2-chloro-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641199
3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146122787
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide
CID 166367611
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110641097

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide (CID 110641185) is N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide is COc1ccc(-c2nc(CCNC(=O)c3cccc(C)c3)c(C)o2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide?
The InChIKey is JWFNMIIGFYURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-5-4-6-17(13-14)20(24)22-12-11-19-15(2)26-21(23-19)16-7-9-18(25-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide?
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 110641185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).