N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide

C21H16N2O2 — CID 810790

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-2-3-7-17(14)20(24)22-16-12-10-15(11-13-16)21-23-18-8-4-5-9-19(18)25-21/h2-13H,1H3,(H,22,24)
InChIKeyNYVNJMZVVTUUFQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.06
Rot. Bonds3

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide (PubChem CID 810790) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide
PubChem CID810790
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-2-3-7-17(14)20(24)22-16-12-10-15(11-13-16)21-23-18-8-4-5-9-19(18)25-21/h2-13H,1H3,(H,22,24)
InChIKeyNYVNJMZVVTUUFQ-UHFFFAOYSA-N
XLogP5.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide (CID 810790) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide?
The InChIKey is NYVNJMZVVTUUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-6-2-3-7-17(14)20(24)22-16-12-10-15(11-13-16)21-23-18-8-4-5-9-19(18)25-21/h2-13H,1H3,(H,22,24).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 810790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).