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

C21H17FN4O2 — CID 83275070

IUPACN-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCc3ccccc3F)o2)cc1
InChIInChI=1S/C21H17FN4O2/c1-27-16-10-8-14(9-11-16)20-25-26-21(28-20)17-6-4-12-23-19(17)24-13-15-5-2-3-7-18(15)22/h2-12H,13H2,1H3,(H,23,24)
InChIKeyMFUOPZJUDDGBRP-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.56
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 83275070) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID83275070
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCc3ccccc3F)o2)cc1
InChIInChI=1S/C21H17FN4O2/c1-27-16-10-8-14(9-11-16)20-25-26-21(28-20)17-6-4-12-23-19(17)24-13-15-5-2-3-7-18(15)22/h2-12H,13H2,1H3,(H,23,24)
InChIKeyMFUOPZJUDDGBRP-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 83275070) is N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is COc1ccc(-c2nnc(-c3cccnc3NCc3ccccc3F)o2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is MFUOPZJUDDGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-27-16-10-8-14(9-11-16)20-25-26-21(28-20)17-6-4-12-23-19(17)24-13-15-5-2-3-7-18(15)22/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 376.39 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 83275070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).