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

C14H17ClFN3O — CID 81461547

IUPAC1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cccc(F)c2Cl)o1
InChIInChI=1S/C14H17ClFN3O/c1-3-8-17-11(4-2)14-19-18-13(20-14)9-6-5-7-10(16)12(9)15/h5-7,11,17H,3-4,8H2,1-2H3
InChIKeyXNCNDVCZAJVIEE-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.98
Rot. Bonds6

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

1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 81461547) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is 1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID81461547
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC Name1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cccc(F)c2Cl)o1
InChIInChI=1S/C14H17ClFN3O/c1-3-8-17-11(4-2)14-19-18-13(20-14)9-6-5-7-10(16)12(9)15/h5-7,11,17H,3-4,8H2,1-2H3
InChIKeyXNCNDVCZAJVIEE-UHFFFAOYSA-N
XLogP3.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857466
1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857640
1-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63048632
1-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 106863647
N-[[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81461380
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858787
N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190079
1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859470
1-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 81263147
N-[2-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 81461156

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 81461547) is 1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(-c2cccc(F)c2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is XNCNDVCZAJVIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-3-8-17-11(4-2)14-19-18-13(20-14)9-6-5-7-10(16)12(9)15/h5-7,11,17H,3-4,8H2,1-2H3.
What are the key properties of 1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 297.76 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 81461547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).