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

C18H16N2O3 — CID 110402364

IUPACN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-4-3-5-14(10-12)17(21)20-18-16(11-19-23-18)13-6-8-15(22-2)9-7-13/h3-11H,1-2H3,(H,20,21)
InChIKeyXEHBGSPJLYNFRA-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.91
Rot. Bonds4

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

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide (PubChem CID 110402364) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide
PubChem CID110402364
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-4-3-5-14(10-12)17(21)20-18-16(11-19-23-18)13-6-8-15(22-2)9-7-13/h3-11H,1-2H3,(H,20,21)
InChIKeyXEHBGSPJLYNFRA-UHFFFAOYSA-N
XLogP3.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402060
3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 110402230
4-methyl-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 110402217
1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea
CID 110402428
2,6-dimethoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402062
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 22228481
2-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 110402410
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 110402439
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402400
3-(2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402430

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide (CID 110402364) is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide is COc1ccc(-c2cnoc2NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide?
The InChIKey is XEHBGSPJLYNFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-4-3-5-14(10-12)17(21)20-18-16(11-19-23-18)13-6-8-15(22-2)9-7-13/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide?
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide has a molecular weight of 308.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide is sourced from PubChem (CID 110402364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).