1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide

C16H18N2O4 — CID 90504008

IUPAC1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(c2cc(-c3ccc(OC)c(OC)c3)on2)CC1
InChIInChI=1S/C16H18N2O4/c1-17-15(19)16(6-7-16)14-9-12(22-18-14)10-4-5-11(20-2)13(8-10)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,19)
InChIKeyWGGHGYKFLWRGPE-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.14
Rot. Bonds5

About 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide (PubChem CID 90504008) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide
PubChem CID90504008
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(c2cc(-c3ccc(OC)c(OC)c3)on2)CC1
InChIInChI=1S/C16H18N2O4/c1-17-15(19)16(6-7-16)14-9-12(22-18-14)10-4-5-11(20-2)13(8-10)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,19)
InChIKeyWGGHGYKFLWRGPE-UHFFFAOYSA-N
XLogP2.14
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide (CID 90504008) is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide is CNC(=O)C1(c2cc(-c3ccc(OC)c(OC)c3)on2)CC1.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is WGGHGYKFLWRGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-17-15(19)16(6-7-16)14-9-12(22-18-14)10-4-5-11(20-2)13(8-10)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,19).
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide?
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 90504008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).