3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide

C24H22N2O2 — CID 22575656

IUPAC3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide
SMILESCc1ccc(-c2onc3ccc(C(=O)NCC(C)c4ccccc4)cc23)cc1
InChIInChI=1S/C24H22N2O2/c1-16-8-10-19(11-9-16)23-21-14-20(12-13-22(21)26-28-23)24(27)25-15-17(2)18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,25,27)
InChIKeyVITCKNRXXFGGSX-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.34
Rot. Bonds5

About 3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide

3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide (PubChem CID 22575656) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide
PubChem CID22575656
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide
SMILESCc1ccc(-c2onc3ccc(C(=O)NCC(C)c4ccccc4)cc23)cc1
InChIInChI=1S/C24H22N2O2/c1-16-8-10-19(11-9-16)23-21-14-20(12-13-22(21)26-28-23)24(27)25-15-17(2)18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,25,27)
InChIKeyVITCKNRXXFGGSX-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide
CID 22575642
3-(4-methylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 17015159
5-(4-methylphenyl)-N-(2-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 59170277
N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 60545395
3-phenyl-N-(3-phenylprop-2-ynyl)-2,1-benzoxazole-5-carboxamide
CID 24615547
methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate
CID 24516885
3-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2,1-benzoxazole-5-carboxamide
CID 56558436
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 39969584
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
(2S,3R)-3-hydroxy-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoic acid
CID 97263051
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide (CID 22575656) is 3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide is Cc1ccc(-c2onc3ccc(C(=O)NCC(C)c4ccccc4)cc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide?
The InChIKey is VITCKNRXXFGGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-8-10-19(11-9-16)23-21-14-20(12-13-22(21)26-28-23)24(27)25-15-17(2)18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide?
3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 5.34, 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-phenylpropyl)-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 22575656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).