5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine

C19H19FN4O2 — CID 66715075

IUPAC5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3F)cc2)o1
InChIInChI=1S/C19H19FN4O2/c20-16-4-2-1-3-13(16)11-25-14-7-5-12(6-8-14)15-9-17(15)22-10-18-23-24-19(21)26-18/h1-8,15,17,22H,9-11H2,(H2,21,24)/t15-,17+/m0/s1
InChIKeyZLQIIVQNPISKDK-DOTOQJQBSA-N
MW354.39 g/mol
LogP3.02
Rot. Bonds7

About 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine

5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 66715075) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID66715075
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3F)cc2)o1
InChIInChI=1S/C19H19FN4O2/c20-16-4-2-1-3-13(16)11-25-14-7-5-12(6-8-14)15-9-17(15)22-10-18-23-24-19(21)26-18/h1-8,15,17,22H,9-11H2,(H2,21,24)/t15-,17+/m0/s1
InChIKeyZLQIIVQNPISKDK-DOTOQJQBSA-N
XLogP3.02
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine (CID 66715075) is 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3F)cc2)o1.
What is the InChIKey of 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZLQIIVQNPISKDK-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-16-4-2-1-3-13(16)11-25-14-7-5-12(6-8-14)15-9-17(15)22-10-18-23-24-19(21)26-18/h1-8,15,17,22H,9-11H2,(H2,21,24)/t15-,17+/m0/s1.
What are the key properties of 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 354.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66715075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).