N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine

C18H17FN4O — CID 71088334

IUPACN-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1nc(-c2ccc(-c3cccc(F)c3)cn2)no1
InChIInChI=1S/C18H17FN4O/c1-11(21-15-6-7-15)18-22-17(23-24-18)16-8-5-13(10-20-16)12-3-2-4-14(19)9-12/h2-5,8-11,15,21H,6-7H2,1H3
InChIKeyGIWKWPQDPQVMKS-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.75
Rot. Bonds5

About N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine

N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 71088334) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID71088334
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1nc(-c2ccc(-c3cccc(F)c3)cn2)no1
InChIInChI=1S/C18H17FN4O/c1-11(21-15-6-7-15)18-22-17(23-24-18)16-8-5-13(10-20-16)12-3-2-4-14(19)9-12/h2-5,8-11,15,21H,6-7H2,1H3
InChIKeyGIWKWPQDPQVMKS-UHFFFAOYSA-N
XLogP3.75
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 71088334) is N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is CC(NC1CC1)c1nc(-c2ccc(-c3cccc(F)c3)cn2)no1.
What is the InChIKey of N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is GIWKWPQDPQVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11(21-15-6-7-15)18-22-17(23-24-18)16-8-5-13(10-20-16)12-3-2-4-14(19)9-12/h2-5,8-11,15,21H,6-7H2,1H3.
What are the key properties of N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 324.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 71088334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).