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

C15H18N2O2 — CID 110714644

IUPACN-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCc2coc(C)n2)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-3-5-13(8-11)6-7-15(18)16-9-14-10-19-12(2)17-14/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyIRWVNLGZGYZZME-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.54
Rot. Bonds5

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

N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide (PubChem CID 110714644) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide
PubChem CID110714644
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCc2coc(C)n2)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-3-5-13(8-11)6-7-15(18)16-9-14-10-19-12(2)17-14/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyIRWVNLGZGYZZME-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110742436
4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
CID 146143246
N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
CID 62950258
3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738980
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679194
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
3-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714611
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 66165783
(2S)-2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 114006419

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide (CID 110714644) is N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NCc2coc(C)n2)c1.
What is the InChIKey of N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide?
The InChIKey is IRWVNLGZGYZZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-3-5-13(8-11)6-7-15(18)16-9-14-10-19-12(2)17-14/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide?
N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 110714644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).