3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide

C19H12Cl2FN5O2 — CID 25034140

IUPAC3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1cnc2ncc(Cl)cc2c1
InChIInChI=1S/C19H12Cl2FN5O2/c20-11-5-10-6-13(9-24-18(10)23-8-11)25-16(28)3-4-17-26-19(27-29-17)14-2-1-12(22)7-15(14)21/h1-2,5-9H,3-4H2,(H,25,28)
InChIKeyGUXZMJXQQKUUOL-UHFFFAOYSA-N
MW432.24 g/mol
LogP4.70
Rot. Bonds5

About 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide

3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide (PubChem CID 25034140) has the molecular formula C19H12Cl2FN5O2 and a molecular weight of 432.24 g/mol. Its IUPAC name is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide
PubChem CID25034140
Molecular FormulaC19H12Cl2FN5O2
Molecular Weight432.24 g/mol
Exact Mass431.04
IUPAC Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1cnc2ncc(Cl)cc2c1
InChIInChI=1S/C19H12Cl2FN5O2/c20-11-5-10-6-13(9-24-18(10)23-8-11)25-16(28)3-4-17-26-19(27-29-17)14-2-1-12(22)7-15(14)21/h1-2,5-9H,3-4H2,(H,25,28)
InChIKeyGUXZMJXQQKUUOL-UHFFFAOYSA-N
XLogP4.70
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide?
The IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide (CID 25034140) is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide.
What is the SMILES notation for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide?
The canonical SMILES for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide is O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1cnc2ncc(Cl)cc2c1.
What is the InChIKey of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide?
The InChIKey is GUXZMJXQQKUUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN5O2/c20-11-5-10-6-13(9-24-18(10)23-8-11)25-16(28)3-4-17-26-19(27-29-17)14-2-1-12(22)7-15(14)21/h1-2,5-9H,3-4H2,(H,25,28).
What are the key properties of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide?
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide has a molecular weight of 432.24 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide is sourced from PubChem (CID 25034140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).