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

C16H21N3O3 — CID 110335010

IUPACN-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCCCNC(=O)CCc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C16H21N3O3/c1-3-4-11-17-14(20)9-10-15-18-19-16(22-15)12-5-7-13(21-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyNAURKIJVTDXDTK-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.59
Rot. Bonds8

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

N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110335010) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110335010
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCCCNC(=O)CCc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C16H21N3O3/c1-3-4-11-17-14(20)9-10-15-18-19-16(22-15)12-5-7-13(21-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyNAURKIJVTDXDTK-UHFFFAOYSA-N
XLogP2.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 110335024
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
CID 110321939
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pentanamide
CID 110321805
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335037
N-[2-(4-ethoxyphenoxy)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8530791
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334870
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330217
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110335010) is N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CCCCNC(=O)CCc1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is NAURKIJVTDXDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-4-11-17-14(20)9-10-15-18-19-16(22-15)12-5-7-13(21-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 303.36 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110335010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).