3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide

C16H20N2O2 — CID 110671232

IUPAC3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide
SMILESCCc1ccc(CCC(=O)NCc2ocnc2C)cc1
InChIInChI=1S/C16H20N2O2/c1-3-13-4-6-14(7-5-13)8-9-16(19)17-10-15-12(2)18-11-20-15/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyKSBZJCAPNNCSSY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.79
Rot. Bonds6

About 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide

3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide (PubChem CID 110671232) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide
PubChem CID110671232
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide
SMILESCCc1ccc(CCC(=O)NCc2ocnc2C)cc1
InChIInChI=1S/C16H20N2O2/c1-3-13-4-6-14(7-5-13)8-9-16(19)17-10-15-12(2)18-11-20-15/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyKSBZJCAPNNCSSY-UHFFFAOYSA-N
XLogP2.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-naphthalen-1-ylpropanamide
CID 167825677
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5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
CID 55768894
3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
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2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]acetamide
CID 110671199
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
CID 23532304
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide
CID 110679842
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
N-(1,3-benzoxazol-6-ylmethyl)butanamide
CID 110784925
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide (CID 110671232) is 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide is CCc1ccc(CCC(=O)NCc2ocnc2C)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide?
The InChIKey is KSBZJCAPNNCSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-13-4-6-14(7-5-13)8-9-16(19)17-10-15-12(2)18-11-20-15/h4-7,11H,3,8-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide?
3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 110671232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).