N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide

C21H22N2O3 — CID 59432548

IUPACN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccno2)c1
InChIInChI=1S/C21H22N2O3/c1-14-4-6-16(7-5-14)17-10-18(20-8-9-22-26-20)12-19(11-17)21(24)23-15(2)13-25-3/h4-12,15H,13H2,1-3H3,(H,23,24)
InChIKeyRBDURVWEFYGQPG-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.08
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide (PubChem CID 59432548) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide
PubChem CID59432548
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccno2)c1
InChIInChI=1S/C21H22N2O3/c1-14-4-6-16(7-5-14)17-10-18(20-8-9-22-26-20)12-19(11-17)21(24)23-15(2)13-25-3/h4-12,15H,13H2,1-3H3,(H,23,24)
InChIKeyRBDURVWEFYGQPG-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide (CID 59432548) is N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide is COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccno2)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide?
The InChIKey is RBDURVWEFYGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-4-6-16(7-5-14)17-10-18(20-8-9-22-26-20)12-19(11-17)21(24)23-15(2)13-25-3/h4-12,15H,13H2,1-3H3,(H,23,24).
What are the key properties of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide?
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 59432548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).