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

C20H21N3O4 — CID 110321939

IUPACN-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
SMILESCOc1ccc(-c2nnc(CCNC(=O)CCOc3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-16-9-7-15(8-10-16)20-23-22-19(27-20)11-13-21-18(24)12-14-26-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyZMHYAEPJSZALAY-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.87
Rot. Bonds9

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

N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide (PubChem CID 110321939) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
PubChem CID110321939
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
SMILESCOc1ccc(-c2nnc(CCNC(=O)CCOc3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-16-9-7-15(8-10-16)20-23-22-19(27-20)11-13-21-18(24)12-14-26-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyZMHYAEPJSZALAY-UHFFFAOYSA-N
XLogP2.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335010
N-[2-(4-ethoxyphenoxy)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8530791
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-3-carboxamide
CID 110321949
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pentanamide
CID 110321805
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-phenoxyacetamide
CID 110321314
phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321456
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335037
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390918

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide (CID 110321939) is N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide is COc1ccc(-c2nnc(CCNC(=O)CCOc3ccccc3)o2)cc1.
What is the InChIKey of N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide?
The InChIKey is ZMHYAEPJSZALAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-16-9-7-15(8-10-16)20-23-22-19(27-20)11-13-21-18(24)12-14-26-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,24).
What are the key properties of N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide?
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide has a molecular weight of 367.41 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110321939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).