[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine

C12H11ClFN3O — CID 61325046

IUPAC[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
SMILESNC(c1noc(-c2cc(Cl)ccc2F)n1)C1CC1
InChIInChI=1S/C12H11ClFN3O/c13-7-3-4-9(14)8(5-7)12-16-11(17-18-12)10(15)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyKRXUXQKVRPTYNR-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.94
Rot. Bonds3

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

[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine (PubChem CID 61325046) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is [5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
PubChem CID61325046
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
SMILESNC(c1noc(-c2cc(Cl)ccc2F)n1)C1CC1
InChIInChI=1S/C12H11ClFN3O/c13-7-3-4-9(14)8(5-7)12-16-11(17-18-12)10(15)6-1-2-6/h3-6,10H,1-2,15H2
InChIKeyKRXUXQKVRPTYNR-UHFFFAOYSA-N
XLogP2.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
The IUPAC name of [5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine (CID 61325046) is [5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine is NC(c1noc(-c2cc(Cl)ccc2F)n1)C1CC1.
What is the InChIKey of [5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
The InChIKey is KRXUXQKVRPTYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-7-3-4-9(14)8(5-7)12-16-11(17-18-12)10(15)6-1-2-6/h3-6,10H,1-2,15H2.
What are the key properties of [5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine has a molecular weight of 267.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine is sourced from PubChem (CID 61325046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).