N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide

C24H22N2O2 — CID 1334018

IUPACN-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1
InChIInChI=1S/C24H22N2O2/c1-14-5-8-18(9-6-14)23(27)25-20-13-19(10-7-16(20)3)24-26-21-12-15(2)11-17(4)22(21)28-24/h5-13H,1-4H3,(H,25,27)
InChIKeyMSLBEHNDXVODHT-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.98
Rot. Bonds3

About N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide

N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide (PubChem CID 1334018) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
PubChem CID1334018
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1
InChIInChI=1S/C24H22N2O2/c1-14-5-8-18(9-6-14)23(27)25-20-13-19(10-7-16(20)3)24-26-21-12-15(2)11-17(4)22(21)28-24/h5-13H,1-4H3,(H,25,27)
InChIKeyMSLBEHNDXVODHT-UHFFFAOYSA-N
XLogP5.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-iodobenzamide
CID 3962920
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
CID 1496932
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
CID 1364099
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 1138944
5-bromo-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methoxy-3-methylbenzamide
CID 3510723
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]hexanamide
CID 7123546
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide
CID 168654053
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17314459
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3419405
N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 3137642
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 2263420
N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,4-dimethylbenzamide
CID 17092390

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide?
The IUPAC name of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide (CID 1334018) is N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1.
What is the InChIKey of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide?
The InChIKey is MSLBEHNDXVODHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-14-5-8-18(9-6-14)23(27)25-20-13-19(10-7-16(20)3)24-26-21-12-15(2)11-17(4)22(21)28-24/h5-13H,1-4H3,(H,25,27).
What are the key properties of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide?
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide is sourced from PubChem (CID 1334018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).