2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole

C16H10F3N5O — CID 170622764

IUPAC2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
SMILESC=C(C)c1cc(C(F)(F)F)c2ccc3nc(-c4nnco4)cn3c2n1
InChIInChI=1S/C16H10F3N5O/c1-8(2)11-5-10(16(17,18)19)9-3-4-13-21-12(15-23-20-7-25-15)6-24(13)14(9)22-11/h3-7H,1H2,2H3
InChIKeyYOPGBQPFYLMXGZ-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.98
Rot. Bonds2

About 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole

2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole (PubChem CID 170622764) has the molecular formula C16H10F3N5O and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
PubChem CID170622764
Molecular FormulaC16H10F3N5O
Molecular Weight345.28 g/mol
Exact Mass345.08
IUPAC Name2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
SMILESC=C(C)c1cc(C(F)(F)F)c2ccc3nc(-c4nnco4)cn3c2n1
InChIInChI=1S/C16H10F3N5O/c1-8(2)11-5-10(16(17,18)19)9-3-4-13-21-12(15-23-20-7-25-15)6-24(13)14(9)22-11/h3-7H,1H2,2H3
InChIKeyYOPGBQPFYLMXGZ-UHFFFAOYSA-N
XLogP3.98
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole (CID 170622764) is 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole is C=C(C)c1cc(C(F)(F)F)c2ccc3nc(-c4nnco4)cn3c2n1.
What is the InChIKey of 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The InChIKey is YOPGBQPFYLMXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O/c1-8(2)11-5-10(16(17,18)19)9-3-4-13-21-12(15-23-20-7-25-15)6-24(13)14(9)22-11/h3-7H,1H2,2H3.
What are the key properties of 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole has a molecular weight of 345.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170622764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).