1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

C15H21N3O2 — CID 62857640

IUPAC1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C15H21N3O2/c1-4-10-16-12(5-2)15-18-17-14(20-15)11-8-6-7-9-13(11)19-3/h6-9,12,16H,4-5,10H2,1-3H3
InChIKeyBESZTIXNIGRFDS-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.20
Rot. Bonds7

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

1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 62857640) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID62857640
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C15H21N3O2/c1-4-10-16-12(5-2)15-18-17-14(20-15)11-8-6-7-9-13(11)19-3/h6-9,12,16H,4-5,10H2,1-3H3
InChIKeyBESZTIXNIGRFDS-UHFFFAOYSA-N
XLogP3.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858783
2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 62856199
1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 81461547
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858269
1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107952684
1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858121
1-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63048632
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
N-[1-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163060
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 106863647
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858439

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 62857640) is 1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(-c2ccccc2OC)o1.
What is the InChIKey of 1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is BESZTIXNIGRFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-10-16-12(5-2)15-18-17-14(20-15)11-8-6-7-9-13(11)19-3/h6-9,12,16H,4-5,10H2,1-3H3.
What are the key properties of 1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62857640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).