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

C18H17FN4O2 — CID 51901909

IUPAC5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
SMILESFc1ccccc1-c1noc(-c2ccc(NC[C@@H]3CCCO3)nc2)n1
InChIInChI=1S/C18H17FN4O2/c19-15-6-2-1-5-14(15)17-22-18(25-23-17)12-7-8-16(20-10-12)21-11-13-4-3-9-24-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,20,21)/t13-/m0/s1
InChIKeyNQSGYIIBIWDNCZ-ZDUSSCGKSA-N
MW340.36 g/mol
LogP3.53
Rot. Bonds5

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

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine (PubChem CID 51901909) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
PubChem CID51901909
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
SMILESFc1ccccc1-c1noc(-c2ccc(NC[C@@H]3CCCO3)nc2)n1
InChIInChI=1S/C18H17FN4O2/c19-15-6-2-1-5-14(15)17-22-18(25-23-17)12-7-8-16(20-10-12)21-11-13-4-3-9-24-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,20,21)/t13-/m0/s1
InChIKeyNQSGYIIBIWDNCZ-ZDUSSCGKSA-N
XLogP3.53
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 25279341
3-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 92750081
3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 92750080
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine
CID 42591956
N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 45196290
N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 25385689
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine
CID 45216823
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 42516884

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine (CID 51901909) is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine is Fc1ccccc1-c1noc(-c2ccc(NC[C@@H]3CCCO3)nc2)n1.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?
The InChIKey is NQSGYIIBIWDNCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-6-2-1-5-14(15)17-22-18(25-23-17)12-7-8-16(20-10-12)21-11-13-4-3-9-24-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,20,21)/t13-/m0/s1.
What are the key properties of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine has a molecular weight of 340.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 51901909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).