5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine

C18H18FN3O2 — CID 97137063

IUPAC5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccc([C@H](CCNc2nnc(C3CC3)o2)c2ccco2)cc1
InChIInChI=1S/C18H18FN3O2/c19-14-7-5-12(6-8-14)15(16-2-1-11-23-16)9-10-20-18-22-21-17(24-18)13-3-4-13/h1-2,5-8,11,13,15H,3-4,9-10H2,(H,20,22)/t15-/m0/s1
InChIKeyJFDFGJRIEGUYMZ-HNNXBMFYSA-N
MW327.36 g/mol
LogP4.31
Rot. Bonds7

About 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine (PubChem CID 97137063) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine
PubChem CID97137063
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccc([C@H](CCNc2nnc(C3CC3)o2)c2ccco2)cc1
InChIInChI=1S/C18H18FN3O2/c19-14-7-5-12(6-8-14)15(16-2-1-11-23-16)9-10-20-18-22-21-17(24-18)13-3-4-13/h1-2,5-8,11,13,15H,3-4,9-10H2,(H,20,22)/t15-/m0/s1
InChIKeyJFDFGJRIEGUYMZ-HNNXBMFYSA-N
XLogP4.31
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine (CID 97137063) is 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine is Fc1ccc([C@H](CCNc2nnc(C3CC3)o2)c2ccco2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JFDFGJRIEGUYMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-7-5-12(6-8-14)15(16-2-1-11-23-16)9-10-20-18-22-21-17(24-18)13-3-4-13/h1-2,5-8,11,13,15H,3-4,9-10H2,(H,20,22)/t15-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 327.36 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97137063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).