(2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone

C25H21ClN2O3 — CID 93015438

About (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone

(2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 93015438) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 93015438
• Molecular Formula: C25H21ClN2O3
• Molecular Weight: 432.91 g/mol
• Exact Mass: 432.12
• IUPAC Name: (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
• SMILES: COc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccccc4Cl)nc3c2)c1
• InChI: InChI=1S/C25H21ClN2O3/c1-30-18-7-4-6-16(14-18)17-11-12-23-21(15-17)27-24(31-23)22-10-5-13-28(22)25(29)19-8-2-3-9-20(19)26/h2-4,6-9,11-12,14-15,22H,5,10,13H2,1H3/t22-/m1/s1
• InChIKey: QOZFTNHCXFRCJE-JOCHJYFZSA-N
• XLogP: 6.13
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.91
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone (CID 93015438) is (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone is COc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccccc4Cl)nc3c2)c1.

What is the InChIKey of (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is QOZFTNHCXFRCJE-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-30-18-7-4-6-16(14-18)17-11-12-23-21(15-17)27-24(31-23)22-10-5-13-28(22)25(29)19-8-2-3-9-20(19)26/h2-4,6-9,11-12,14-15,22H,5,10,13H2,1H3/t22-/m1/s1.

What are the key properties of (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone?

(2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 432.91 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 93015438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).