5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine

C15H15BrFN5O — CID 141296433

IUPAC5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(Br)ccc1NC1=C(F)CN(C)C=C1c1nnc(N)o1
InChIInChI=1S/C15H15BrFN5O/c1-8-5-9(16)3-4-12(8)19-13-10(6-22(2)7-11(13)17)14-20-21-15(18)23-14/h3-6,19H,7H2,1-2H3,(H2,18,21)
InChIKeyXOIJQRTZUUGAKK-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.30
Rot. Bonds3

About 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine

5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 141296433) has the molecular formula C15H15BrFN5O and a molecular weight of 380.22 g/mol. Its IUPAC name is 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID141296433
Molecular FormulaC15H15BrFN5O
Molecular Weight380.22 g/mol
Exact Mass379.04
IUPAC Name5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(Br)ccc1NC1=C(F)CN(C)C=C1c1nnc(N)o1
InChIInChI=1S/C15H15BrFN5O/c1-8-5-9(16)3-4-12(8)19-13-10(6-22(2)7-11(13)17)14-20-21-15(18)23-14/h3-6,19H,7H2,1-2H3,(H2,18,21)
InChIKeyXOIJQRTZUUGAKK-UHFFFAOYSA-N
XLogP3.30
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine (CID 141296433) is 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine is Cc1cc(Br)ccc1NC1=C(F)CN(C)C=C1c1nnc(N)o1.
What is the InChIKey of 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XOIJQRTZUUGAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN5O/c1-8-5-9(16)3-4-12(8)19-13-10(6-22(2)7-11(13)17)14-20-21-15(18)23-14/h3-6,19H,7H2,1-2H3,(H2,18,21).
What are the key properties of 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine?
5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 380.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-bromo-2-methylanilino)-3-fluoro-1-methyl-2H-pyridin-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 141296433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).