5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine

C11H12ClFN4O — CID 50980689

IUPAC5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCCc1nnc(CN(C)c2ncc(Cl)cc2F)o1
InChIInChI=1S/C11H12ClFN4O/c1-3-9-15-16-10(18-9)6-17(2)11-8(13)4-7(12)5-14-11/h4-5H,3,6H2,1-2H3
InChIKeyISPZZPOZSCXBQE-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.46
Rot. Bonds4

About 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine

5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine (PubChem CID 50980689) has the molecular formula C11H12ClFN4O and a molecular weight of 270.69 g/mol. Its IUPAC name is 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
PubChem CID50980689
Molecular FormulaC11H12ClFN4O
Molecular Weight270.69 g/mol
Exact Mass270.07
IUPAC Name5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCCc1nnc(CN(C)c2ncc(Cl)cc2F)o1
InChIInChI=1S/C11H12ClFN4O/c1-3-9-15-16-10(18-9)6-17(2)11-8(13)4-7(12)5-14-11/h4-5H,3,6H2,1-2H3
InChIKeyISPZZPOZSCXBQE-UHFFFAOYSA-N
XLogP2.46
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine (CID 50980689) is 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine is CCc1nnc(CN(C)c2ncc(Cl)cc2F)o1.
What is the InChIKey of 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is ISPZZPOZSCXBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O/c1-3-9-15-16-10(18-9)6-17(2)11-8(13)4-7(12)5-14-11/h4-5H,3,6H2,1-2H3.
What are the key properties of 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine?
5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 270.69 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 50980689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).