N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline

C21H17FN4O2 — CID 138008043

IUPACN-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1Nc1ccccc1-c1noc(-c2ncccc2F)n1
InChIInChI=1S/C21H17FN4O2/c1-27-13-14-7-2-4-10-17(14)24-18-11-5-3-8-15(18)20-25-21(28-26-20)19-16(22)9-6-12-23-19/h2-12,24H,13H2,1H3
InChIKeyKCBDWRKCVQJKTH-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.83
Rot. Bonds6

About N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline

N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline (PubChem CID 138008043) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline
PubChem CID138008043
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1Nc1ccccc1-c1noc(-c2ncccc2F)n1
InChIInChI=1S/C21H17FN4O2/c1-27-13-14-7-2-4-10-17(14)24-18-11-5-3-8-15(18)20-25-21(28-26-20)19-16(22)9-6-12-23-19/h2-12,24H,13H2,1H3
InChIKeyKCBDWRKCVQJKTH-UHFFFAOYSA-N
XLogP4.83
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline (CID 138008043) is N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline is COCc1ccccc1Nc1ccccc1-c1noc(-c2ncccc2F)n1.
What is the InChIKey of N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline?
The InChIKey is KCBDWRKCVQJKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-27-13-14-7-2-4-10-17(14)24-18-11-5-3-8-15(18)20-25-21(28-26-20)19-16(22)9-6-12-23-19/h2-12,24H,13H2,1H3.
What are the key properties of N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline?
N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline has a molecular weight of 376.39 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 138008043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).