3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide

C24H22N2O2 — CID 22575642

IUPAC3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc1
InChIInChI=1S/C24H22N2O2/c1-16-3-7-18(8-4-16)13-14-25-24(27)20-11-12-22-21(15-20)23(28-26-22)19-9-5-17(2)6-10-19/h3-12,15H,13-14H2,1-2H3,(H,25,27)
InChIKeyWPADAHBVFTZWAX-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.08
Rot. Bonds5

About 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide

3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide (PubChem CID 22575642) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide
PubChem CID22575642
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc1
InChIInChI=1S/C24H22N2O2/c1-16-3-7-18(8-4-16)13-14-25-24(27)20-11-12-22-21(15-20)23(28-26-22)19-9-5-17(2)6-10-19/h3-12,15H,13-14H2,1-2H3,(H,25,27)
InChIKeyWPADAHBVFTZWAX-UHFFFAOYSA-N
XLogP5.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 17015159
3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide
CID 22575656
N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 60545395
3-(4-methylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,1-benzoxazole-5-carboxamide
CID 46350548
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 41463565
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(2-phenylethyl)triazole-4-carboxamide
CID 17015386
[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 22575651
3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide
CID 146154705
N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
CID 41111162
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122293162

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide (CID 22575642) is 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide is Cc1ccc(CCNC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide?
The InChIKey is WPADAHBVFTZWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-3-7-18(8-4-16)13-14-25-24(27)20-11-12-22-21(15-20)23(28-26-22)19-9-5-17(2)6-10-19/h3-12,15H,13-14H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide?
3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 22575642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).