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

C16H20N2O4 — CID 110742436

IUPAC3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2coc(C)n2)cc1OC
InChIInChI=1S/C16H20N2O4/c1-11-18-13(10-22-11)9-17-16(19)7-5-12-4-6-14(20-2)15(8-12)21-3/h4,6,8,10H,5,7,9H2,1-3H3,(H,17,19)
InChIKeyAMCPOCNDHCHDMR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.25
Rot. Bonds7

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

3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide (PubChem CID 110742436) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
PubChem CID110742436
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2coc(C)n2)cc1OC
InChIInChI=1S/C16H20N2O4/c1-11-18-13(10-22-11)9-17-16(19)7-5-12-4-6-14(20-2)15(8-12)21-3/h4,6,8,10H,5,7,9H2,1-3H3,(H,17,19)
InChIKeyAMCPOCNDHCHDMR-UHFFFAOYSA-N
XLogP2.25
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110714644
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679194
4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
CID 146143246
3,4-dimethoxy-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714594
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333516
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide (CID 110742436) is 3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide is COc1ccc(CCC(=O)NCc2coc(C)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide?
The InChIKey is AMCPOCNDHCHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-18-13(10-22-11)9-17-16(19)7-5-12-4-6-14(20-2)15(8-12)21-3/h4,6,8,10H,5,7,9H2,1-3H3,(H,17,19).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide has a molecular weight of 304.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide is sourced from PubChem (CID 110742436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).