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

C14H16N2O2 — CID 110678970

IUPACN-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1ccccc1CNC(=O)CCc1cocn1
InChIInChI=1S/C14H16N2O2/c1-11-4-2-3-5-12(11)8-15-14(17)7-6-13-9-18-10-16-13/h2-5,9-10H,6-8H2,1H3,(H,15,17)
InChIKeyYMJCNYFJHNDRSL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.23
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide (PubChem CID 110678970) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide
PubChem CID110678970
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1ccccc1CNC(=O)CCc1cocn1
InChIInChI=1S/C14H16N2O2/c1-11-4-2-3-5-12(11)8-15-14(17)7-6-13-9-18-10-16-13/h2-5,9-10H,6-8H2,1H3,(H,15,17)
InChIKeyYMJCNYFJHNDRSL-UHFFFAOYSA-N
XLogP2.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 110679397
N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679061
3-(1,3-oxazol-4-yl)-N-pentylpropanamide
CID 110679032
3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 110688931
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
N-(2-methoxyphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679079
3-(4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)propanamide
CID 110718948
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839806
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
2-methyl-5-[[3-(2-methylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226401
N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679078

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide (CID 110678970) is N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide is Cc1ccccc1CNC(=O)CCc1cocn1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide?
The InChIKey is YMJCNYFJHNDRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11-4-2-3-5-12(11)8-15-14(17)7-6-13-9-18-10-16-13/h2-5,9-10H,6-8H2,1H3,(H,15,17).
What are the key properties of N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide?
N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide has a molecular weight of 244.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110678970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).