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

C13H14N2O2 — CID 66848473

IUPAC2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide
SMILESCC(Cc1ccc(-c2cnoc2)cc1)C(N)=O
InChIInChI=1S/C13H14N2O2/c1-9(13(14)16)6-10-2-4-11(5-3-10)12-7-15-17-8-12/h2-5,7-9H,6H2,1H3,(H2,14,16)
InChIKeyMERMKZJNSIXCLA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.01
Rot. Bonds4

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

2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide (PubChem CID 66848473) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide
PubChem CID66848473
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide
SMILESCC(Cc1ccc(-c2cnoc2)cc1)C(N)=O
InChIInChI=1S/C13H14N2O2/c1-9(13(14)16)6-10-2-4-11(5-3-10)12-7-15-17-8-12/h2-5,7-9H,6H2,1H3,(H2,14,16)
InChIKeyMERMKZJNSIXCLA-UHFFFAOYSA-N
XLogP2.01
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(1,2-oxazol-4-yl)butan-2-one
CID 79429663
3-methyl-4-[4-(2-methyl-3-oxobutyl)phenyl]butan-2-one
CID 19020081
3-[4-[4-(1-aminoethyl)phenyl]phenyl]-2-methylpropanoic acid
CID 166996996
[4-(3-amino-2-methyl-3-oxopropyl)phenyl] dihydrogen phosphate
CID 58672481
3-[4-[5-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)pyrimidin-2-yl]phenyl]-2-methylpropanamide
CID 144758535
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
3-[[4-(3-amino-2-methyl-3-oxopropyl)benzoyl]amino]propanoic acid
CID 20742369
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
4-amino-5-(4-hydroxyphenyl)-2-methylpentanamide
CID 123987680

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide (CID 66848473) is 2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide is CC(Cc1ccc(-c2cnoc2)cc1)C(N)=O.
What is the InChIKey of 2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide?
The InChIKey is MERMKZJNSIXCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(13(14)16)6-10-2-4-11(5-3-10)12-7-15-17-8-12/h2-5,7-9H,6H2,1H3,(H2,14,16).
What are the key properties of 2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide?
2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide has a molecular weight of 230.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(1,2-oxazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 66848473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).