3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine

C13H14FN3O2 — CID 92750080

IUPAC3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C13H14FN3O2/c14-11-6-2-1-5-10(11)12-16-13(19-17-12)15-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17)/t9-/m0/s1
InChIKeyDZEFLLYHHUASJV-VIFPVBQESA-N
MW263.27 g/mol
LogP2.47
Rot. Bonds4

About 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine

3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 92750080) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
PubChem CID92750080
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C13H14FN3O2/c14-11-6-2-1-5-10(11)12-16-13(19-17-12)15-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17)/t9-/m0/s1
InChIKeyDZEFLLYHHUASJV-VIFPVBQESA-N
XLogP2.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 92750081
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 51901909
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 126783794
6-N-[(2-fluorophenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880618
2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline
CID 107598059
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54809610
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
2-N-(2-fluorophenyl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine
CID 41035169

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine (CID 92750080) is 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine is Fc1ccccc1-c1noc(NC[C@@H]2CCCO2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is DZEFLLYHHUASJV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-11-6-2-1-5-10(11)12-16-13(19-17-12)15-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17)/t9-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine?
3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 263.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 92750080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).