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

C26H24N2O4 — CID 18271983

IUPACN-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C26H24N2O4/c1-30-21-14-13-20(17-22(21)31-2)27-23(29)15-16-24-28-25(18-9-5-3-6-10-18)26(32-24)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3,(H,27,29)
InChIKeyNDVKIOVRDWRATQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.60
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 18271983) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
PubChem CID18271983
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C26H24N2O4/c1-30-21-14-13-20(17-22(21)31-2)27-23(29)15-16-24-28-25(18-9-5-3-6-10-18)26(32-24)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3,(H,27,29)
InChIKeyNDVKIOVRDWRATQ-UHFFFAOYSA-N
XLogP5.60
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 18204988
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)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 43039542
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 25472531
N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 41295504
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 24595395
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 99172831
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
N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 37459895
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (CID 18271983) is N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is COc1ccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is NDVKIOVRDWRATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-30-21-14-13-20(17-22(21)31-2)27-23(29)15-16-24-28-25(18-9-5-3-6-10-18)26(32-24)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 428.49 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 18271983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).