N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C19H20N4O2 — CID 90503059

About N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90503059) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
• PubChem CID: 90503059
• Molecular Formula: C19H20N4O2
• Molecular Weight: 336.39 g/mol
• Exact Mass: 336.16
• IUPAC Name: N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
• SMILES: Cc1nccn1CCNC(=O)C1(c2cc(-c3ccccc3)on2)CC1
• InChI: InChI=1S/C19H20N4O2/c1-14-20-9-11-23(14)12-10-21-18(24)19(7-8-19)17-13-16(25-22-17)15-5-3-2-4-6-15/h2-6,9,11,13H,7-8,10,12H2,1H3,(H,21,24)
• InChIKey: ZCVQLDUAUNRLIG-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.39
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90503059) is N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is Cc1nccn1CCNC(=O)C1(c2cc(-c3ccccc3)on2)CC1.

What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?

The InChIKey is ZCVQLDUAUNRLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-20-9-11-23(14)12-10-21-18(24)19(7-8-19)17-13-16(25-22-17)15-5-3-2-4-6-15/h2-6,9,11,13H,7-8,10,12H2,1H3,(H,21,24).

What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?

N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).