3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide

C26H21ClN4O2 — CID 55778400

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 55778400) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
• PubChem CID: 55778400
• Molecular Formula: C26H21ClN4O2
• Molecular Weight: 456.93 g/mol
• Exact Mass: 456.14
• IUPAC Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccnn1Cc1cccc2ccccc12
• InChI: InChI=1S/C26H21ClN4O2/c27-22-11-4-3-10-21(22)23-16-28-26(33-23)13-12-25(32)30-24-14-15-29-31(24)17-19-8-5-7-18-6-1-2-9-20(18)19/h1-11,14-16H,12-13,17H2,(H,30,32)
• InChIKey: KAXBCZQAEKPNFP-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.93
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?

The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (CID 55778400) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.

What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?

The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccnn1Cc1cccc2ccccc12.

What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?

The InChIKey is KAXBCZQAEKPNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c27-22-11-4-3-10-21(22)23-16-28-26(33-23)13-12-25(32)30-24-14-15-29-31(24)17-19-8-5-7-18-6-1-2-9-20(18)19/h1-11,14-16H,12-13,17H2,(H,30,32).

What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 456.93 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 55778400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).