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

C18H19FN6O — CID 120957524

IUPACN-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN1CCNCC1c1noc(-c2cccnc2Nc2ccccc2F)n1
InChIInChI=1S/C18H19FN6O/c1-25-10-9-20-11-15(25)17-23-18(26-24-17)12-5-4-8-21-16(12)22-14-7-3-2-6-13(14)19/h2-8,15,20H,9-11H2,1H3,(H,21,22)
InChIKeyRVOTVPNCLLWGDQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.59
Rot. Bonds4

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

N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 120957524) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID120957524
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC NameN-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN1CCNCC1c1noc(-c2cccnc2Nc2ccccc2F)n1
InChIInChI=1S/C18H19FN6O/c1-25-10-9-20-11-15(25)17-23-18(26-24-17)12-5-4-8-21-16(12)22-14-7-3-2-6-13(14)19/h2-8,15,20H,9-11H2,1H3,(H,21,22)
InChIKeyRVOTVPNCLLWGDQ-UHFFFAOYSA-N
XLogP2.59
TPSA79.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
3-(1-methylpiperazin-2-yl)-5-quinolin-8-yl-1,2,4-oxadiazole
CID 120956638
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960912
5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957648
2-methyl-N-(3-methylbutan-2-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]aniline;hydrochloride
CID 120958406
5-(4-bromo-2-fluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959492
5-(3-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960185
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120957367
3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957007
4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 120960561

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 120957524) is N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CN1CCNCC1c1noc(-c2cccnc2Nc2ccccc2F)n1.
What is the InChIKey of N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is RVOTVPNCLLWGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-25-10-9-20-11-15(25)17-23-18(26-24-17)12-5-4-8-21-16(12)22-14-7-3-2-6-13(14)19/h2-8,15,20H,9-11H2,1H3,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 354.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 120957524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).