N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide

C24H22N2O2 — CID 1332402

IUPACN-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide
SMILESCCc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)nc2c1
InChIInChI=1S/C24H22N2O2/c1-3-17-10-12-22-21(13-17)26-24(28-22)19-11-9-16(2)20(15-19)25-23(27)14-18-7-5-4-6-8-18/h4-13,15H,3,14H2,1-2H3,(H,25,27)
InChIKeyBNHBWGCEDGWYNI-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.55
Rot. Bonds5

About N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide

N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide (PubChem CID 1332402) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide
PubChem CID1332402
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide
SMILESCCc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)nc2c1
InChIInChI=1S/C24H22N2O2/c1-3-17-10-12-22-21(13-17)26-24(28-22)19-11-9-16(2)20(15-19)25-23(27)14-18-7-5-4-6-8-18/h4-13,15H,3,14H2,1-2H3,(H,25,27)
InChIKeyBNHBWGCEDGWYNI-UHFFFAOYSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Benzoxazole, 2-(phenylmethyl)-
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Benzoxazole, 2-phenyl-
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2-p-Tolylbenzoxazole
CID 70039
Fluorescent brightener 367
CID 78769
2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
L 697639
CID 60832
L 696229
CID 72352
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide?
The IUPAC name of N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide (CID 1332402) is N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide is CCc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)nc2c1.
What is the InChIKey of N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide?
The InChIKey is BNHBWGCEDGWYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-17-10-12-22-21(13-17)26-24(28-22)19-11-9-16(2)20(15-19)25-23(27)14-18-7-5-4-6-8-18/h4-13,15H,3,14H2,1-2H3,(H,25,27).
What are the key properties of N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide?
N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide has a molecular weight of 370.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 1332402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).