N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine

C20H27N3O3 — CID 163277112

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine
SMILESC1CCNC1.COc1ccc(NC(=O)C2CC2)cc1-c1c(C)noc1C
InChIInChI=1S/C16H18N2O3.C4H9N/c1-9-15(10(2)21-18-9)13-8-12(6-7-14(13)20-3)17-16(19)11-4-5-11;1-2-4-5-3-1/h6-8,11H,4-5H2,1-3H3,(H,17,19);5H,1-4H2
InChIKeyYVPCZDSRMHLVSD-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.69
Rot. Bonds4

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine (PubChem CID 163277112) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine
PubChem CID163277112
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine
SMILESC1CCNC1.COc1ccc(NC(=O)C2CC2)cc1-c1c(C)noc1C
InChIInChI=1S/C16H18N2O3.C4H9N/c1-9-15(10(2)21-18-9)13-8-12(6-7-14(13)20-3)17-16(19)11-4-5-11;1-2-4-5-3-1/h6-8,11H,4-5H2,1-3H3,(H,17,19);5H,1-4H2
InChIKeyYVPCZDSRMHLVSD-UHFFFAOYSA-N
XLogP3.69
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine 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 N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine (CID 163277112) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine is C1CCNC1.COc1ccc(NC(=O)C2CC2)cc1-c1c(C)noc1C.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine?
The InChIKey is YVPCZDSRMHLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3.C4H9N/c1-9-15(10(2)21-18-9)13-8-12(6-7-14(13)20-3)17-16(19)11-4-5-11;1-2-4-5-3-1/h6-8,11H,4-5H2,1-3H3,(H,17,19);5H,1-4H2.
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine has a molecular weight of 357.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine is sourced from PubChem (CID 163277112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).