N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

C23H24N2O4 — CID 90503672

About N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 90503672) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
• PubChem CID: 90503672
• Molecular Formula: C23H24N2O4
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.17
• IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
• SMILES: COc1cccc(-c2cc(C3(C(=O)N(CCO)Cc4ccccc4)CC3)no2)c1
• InChI: InChI=1S/C23H24N2O4/c1-28-19-9-5-8-18(14-19)20-15-21(24-29-20)23(10-11-23)22(27)25(12-13-26)16-17-6-3-2-4-7-17/h2-9,14-15,26H,10-13,16H2,1H3
• InChIKey: ABMRDAOCAXNJII-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 75.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?

The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (CID 90503672) is N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?

The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is COc1cccc(-c2cc(C3(C(=O)N(CCO)Cc4ccccc4)CC3)no2)c1.

What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?

The InChIKey is ABMRDAOCAXNJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-19-9-5-8-18(14-19)20-15-21(24-29-20)23(10-11-23)22(27)25(12-13-26)16-17-6-3-2-4-7-17/h2-9,14-15,26H,10-13,16H2,1H3.

What are the key properties of N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?

N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90503672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).