4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide

C26H24N2O3 — CID 20916598

IUPAC4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide
SMILESCc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1COc1ccccc1
InChIInChI=1S/C26H24N2O3/c1-19-24(18-30-23-10-6-3-7-11-23)28-26(31-19)22-14-12-21(13-15-22)25(29)27-17-16-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,27,29)
InChIKeyQVNYBCSJCWGRIR-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.20
Rot. Bonds8

About 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide

4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide (PubChem CID 20916598) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide
PubChem CID20916598
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide
SMILESCc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1COc1ccccc1
InChIInChI=1S/C26H24N2O3/c1-19-24(18-30-23-10-6-3-7-11-23)28-26(31-19)22-14-12-21(13-15-22)25(29)27-17-16-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,27,29)
InChIKeyQVNYBCSJCWGRIR-UHFFFAOYSA-N
XLogP5.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 20916620
N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916684
N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 46277590
N-[2-(cyclohexen-1-yl)ethyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916665
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 46277609
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide (CID 20916598) is 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide is Cc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1COc1ccccc1.
What is the InChIKey of 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is QVNYBCSJCWGRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-19-24(18-30-23-10-6-3-7-11-23)28-26(31-19)22-14-12-21(13-15-22)25(29)27-17-16-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,27,29).
What are the key properties of 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide?
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 20916598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).