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

C25H22N2O3 — CID 171679459

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1cccc(O)c1
InChIInChI=1S/C25H22N2O3/c28-21-13-7-8-18(16-21)17-26-22(29)14-15-23-27-24(19-9-3-1-4-10-19)25(30-23)20-11-5-2-6-12-20/h1-13,16,28H,14-15,17H2,(H,26,29)
InChIKeyNPFGLAICLNLEPD-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.96
Rot. Bonds7

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

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide (PubChem CID 171679459) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide
PubChem CID171679459
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1cccc(O)c1
InChIInChI=1S/C25H22N2O3/c28-21-13-7-8-18(16-21)17-26-22(29)14-15-23-27-24(19-9-3-1-4-10-19)25(30-23)20-11-5-2-6-12-20/h1-13,16,28H,14-15,17H2,(H,26,29)
InChIKeyNPFGLAICLNLEPD-UHFFFAOYSA-N
XLogP4.96
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 43039542
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)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 171679462
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 86981056
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 30534634
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-(3-methoxyphenyl)propanamide
CID 18204988
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 43038655
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 24593330

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide (CID 171679459) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1cccc(O)c1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide?
The InChIKey is NPFGLAICLNLEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-21-13-7-8-18(16-21)17-26-22(29)14-15-23-27-24(19-9-3-1-4-10-19)25(30-23)20-11-5-2-6-12-20/h1-13,16,28H,14-15,17H2,(H,26,29).
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3-hydroxyphenyl)methyl]propanamide has a molecular weight of 398.46 g/mol, XLogP of 4.96, 7 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-hydroxyphenyl)methyl]propanamide is sourced from PubChem (CID 171679459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).