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

C20H21N3O3 — CID 25284247

IUPACN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCCc1nnc(-c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)o1
InChIInChI=1S/C20H21N3O3/c1-3-19-22-23-20(26-19)15-7-9-16(10-8-15)21-18(24)13-6-14-4-11-17(25-2)12-5-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,24)
InChIKeyKEOMUEVSOAWQBX-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.88
Rot. Bonds7

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

N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 25284247) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID25284247
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCCc1nnc(-c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)o1
InChIInChI=1S/C20H21N3O3/c1-3-19-22-23-20(26-19)15-7-9-16(10-8-15)21-18(24)13-6-14-4-11-17(25-2)12-5-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,24)
InChIKeyKEOMUEVSOAWQBX-UHFFFAOYSA-N
XLogP3.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide (CID 25284247) is N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide is CCc1nnc(-c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)o1.
What is the InChIKey of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is KEOMUEVSOAWQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-19-22-23-20(26-19)15-7-9-16(10-8-15)21-18(24)13-6-14-4-11-17(25-2)12-5-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 25284247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).