3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide

C26H25N3O2 — CID 171679462

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide
SMILESCNCc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C26H25N3O2/c1-27-18-19-9-8-14-22(17-19)28-23(30)15-16-24-29-25(20-10-4-2-5-11-20)26(31-24)21-12-6-3-7-13-21/h2-14,17,27H,15-16,18H2,1H3,(H,28,30)
InChIKeyYZTZCEFFFXZTTL-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.30
Rot. Bonds8

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide (PubChem CID 171679462) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide
PubChem CID171679462
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide
SMILESCNCc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C26H25N3O2/c1-27-18-19-9-8-14-22(17-19)28-23(30)15-16-24-29-25(20-10-4-2-5-11-20)26(31-24)21-12-6-3-7-13-21/h2-14,17,27H,15-16,18H2,1H3,(H,28,30)
InChIKeyYZTZCEFFFXZTTL-UHFFFAOYSA-N
XLogP5.30
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 18204988
N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 18271983
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide
CID 171679459
N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 37459895
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 24593330
N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 46698863
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 43038655
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 43039542
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4904052
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide (CID 171679462) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide is CNCc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide?
The InChIKey is YZTZCEFFFXZTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-27-18-19-9-8-14-22(17-19)28-23(30)15-16-24-29-25(20-10-4-2-5-11-20)26(31-24)21-12-6-3-7-13-21/h2-14,17,27H,15-16,18H2,1H3,(H,28,30).
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide has a molecular weight of 411.51 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide is sourced from PubChem (CID 171679462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).