N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C20H20N4O4 — CID 33308093

IUPACN-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1NC(C)=O
InChIInChI=1S/C20H20N4O4/c1-13(25)21-16-12-15(8-9-17(16)27-2)22-18(26)10-11-19-23-20(24-28-19)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyKBBXFQVFVSUHIY-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.27
Rot. Bonds7

About N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 33308093) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID33308093
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1NC(C)=O
InChIInChI=1S/C20H20N4O4/c1-13(25)21-16-12-15(8-9-17(16)27-2)22-18(26)10-11-19-23-20(24-28-19)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyKBBXFQVFVSUHIY-UHFFFAOYSA-N
XLogP3.27
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 24673840
tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate
CID 55654493
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2989774
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
N-(2,5-dimethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758426

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 33308093) is N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is KBBXFQVFVSUHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(25)21-16-12-15(8-9-17(16)27-2)22-18(26)10-11-19-23-20(24-28-19)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 380.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 33308093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).