3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

C18H17N3O3 — CID 163378775

IUPAC3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCOCCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-12-11-16(22)19-15-9-7-14(8-10-15)18-21-20-17(24-18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyFNFZHWADRNEPFC-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.38
Rot. Bonds6

About 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 163378775) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID163378775
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCOCCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-12-11-16(22)19-15-9-7-14(8-10-15)18-21-20-17(24-18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyFNFZHWADRNEPFC-UHFFFAOYSA-N
XLogP3.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 163378775) is 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is COCCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is FNFZHWADRNEPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-12-11-16(22)19-15-9-7-14(8-10-15)18-21-20-17(24-18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 323.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 163378775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).