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

C24H22N2O2 — CID 3714544

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 Name3-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID3714544
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-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
XLogP6.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).