3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

Name: 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₂N₂O₂ — CID 3714544

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

SMILESCc1cccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1

InChIInChI=1S/C24H22N2O2/c1-15(2)18-9-12-22-21(14-18)26-24(28-22)17-7-10-20(11-8-17)25-23(27)19-6-4-5-16(3)13-19/h4-15H,1-3H3,(H,25,27)

InChIKeyRYNLREFQVNABQJ-UHFFFAOYSA-N

MW370.45 g/mol

LogP6.18

Rot. Bonds4

About 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 3714544) has the molecular formula C₂₄H₂₂N₂O₂ and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name	3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID	3714544
Molecular Formula	C₂₄H₂₂N₂O₂
Molecular Weight	370.45 g/mol
Exact Mass	370.17
IUPAC Name	3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILES	Cc1cccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1
InChI	InChI=1S/C24H22N2O2/c1-15(2)18-9-12-22-21(14-18)26-24(28-22)17-7-10-20(11-8-17)25-23(27)19-6-4-5-16(3)13-19/h4-15H,1-3H3,(H,25,27)
InChIKey	RYNLREFQVNABQJ-UHFFFAOYSA-N
XLogP	6.18
TPSA	55.13 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The IUPAC name of 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 3714544) is 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

What is the SMILES notation for 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The canonical SMILES for 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1.

What is the InChIKey of 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The InChIKey is RYNLREFQVNABQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-15(2)18-9-12-22-21(14-18)26-24(28-22)17-7-10-20(11-8-17)25-23(27)19-6-4-5-16(3)13-19/h4-15H,1-3H3,(H,25,27).

What are the key properties of 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?

3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 3714544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 3714544 — identifiers, structure, computed properties (public domain)

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