N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C21H21N3O3 — CID 17422468

IUPACN-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C21H21N3O3/c1-14-6-8-16(9-7-14)19-13-22-21(27-19)11-10-20(26)24-18-5-3-4-17(12-18)23-15(2)25/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMEOGWLATEPUKFQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.18
Rot. Bonds6

About N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 17422468) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID17422468
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C21H21N3O3/c1-14-6-8-16(9-7-14)19-13-22-21(27-19)11-10-20(26)24-18-5-3-4-17(12-18)23-15(2)25/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMEOGWLATEPUKFQ-UHFFFAOYSA-N
XLogP4.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 34237447
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 38404443
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
CID 86961650
tert-butyl N-methyl-N-[[3-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]methyl]carbamate
CID 55850173
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 55867560
N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 38326510
N-(2-ethyl-6-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356632
N-[4-(methoxymethyl)phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119049686

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 17422468) is N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is MEOGWLATEPUKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-6-8-16(9-7-14)19-13-22-21(27-19)11-10-20(26)24-18-5-3-4-17(12-18)23-15(2)25/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 363.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 17422468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).