N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

C28H28N2O4 — CID 41295504

IUPACN-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C28H28N2O4/c1-3-32-22-15-16-24(33-4-2)23(19-22)29-25(31)17-18-26-30-27(20-11-7-5-8-12-20)28(34-26)21-13-9-6-10-14-21/h5-16,19H,3-4,17-18H2,1-2H3,(H,29,31)
InChIKeyRKSLZMVIJUSYQI-UHFFFAOYSA-N
MW456.54 g/mol
LogP6.38
Rot. Bonds10

About N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 41295504) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
PubChem CID41295504
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC NameN-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C28H28N2O4/c1-3-32-22-15-16-24(33-4-2)23(19-22)29-25(31)17-18-26-30-27(20-11-7-5-8-12-20)28(34-26)21-13-9-6-10-14-21/h5-16,19H,3-4,17-18H2,1-2H3,(H,29,31)
InChIKeyRKSLZMVIJUSYQI-UHFFFAOYSA-N
XLogP6.38
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 18271983
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 18204988
N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 43038655
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4904052
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 25472531
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
2-(benzhydrylamino)-N-(2,5-diethoxyphenyl)acetamide
CID 24565254

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (CID 41295504) is N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is CCOc1ccc(OCC)c(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is RKSLZMVIJUSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-3-32-22-15-16-24(33-4-2)23(19-22)29-25(31)17-18-26-30-27(20-11-7-5-8-12-20)28(34-26)21-13-9-6-10-14-21/h5-16,19H,3-4,17-18H2,1-2H3,(H,29,31).
What are the key properties of N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 456.54 g/mol, XLogP of 6.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 41295504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).