3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole

C20H13F3N4O — CID 153221547

IUPAC3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole
SMILESC=Cc1noc(C=C)c1-c1cc(-c2cccnc2C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C20H13F3N4O/c1-3-15-17(16(4-2)28-27-15)11-8-12-10-25-26-18(12)14(9-11)13-6-5-7-24-19(13)20(21,22)23/h3-10H,1-2H2,(H,25,26)
InChIKeyWNTNHWNHMCAFHM-UHFFFAOYSA-N
MW382.35 g/mol
LogP5.58
Rot. Bonds4

About 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole

3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole (PubChem CID 153221547) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole
PubChem CID153221547
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole
SMILESC=Cc1noc(C=C)c1-c1cc(-c2cccnc2C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C20H13F3N4O/c1-3-15-17(16(4-2)28-27-15)11-8-12-10-25-26-18(12)14(9-11)13-6-5-7-24-19(13)20(21,22)23/h3-10H,1-2H2,(H,25,26)
InChIKeyWNTNHWNHMCAFHM-UHFFFAOYSA-N
XLogP5.58
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
CID 1474300
5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)isoxazole
CID 25165081
3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole
CID 153521552
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide
CID 162668513
3-[difluoro(quinolin-6-yl)methyl]-5-(1H-pyrazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57690956
5-(1-methylpyrazol-4-yl)-3-[(1R)-1-quinolin-6-ylethyl]-[1,2]oxazolo[5,4-b]pyridine
CID 57691144
3-[Difluoro(quinolin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57691324
3,5-dimethyl-4-[1-(1-phenylethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 90448976
US11530210, Example 47
CID 155388732
US11530210, Example 57
CID 155388774
3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole
CID 95857692
3-methyl-7-(1H-pyrazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
CID 134806635

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole (CID 153221547) is 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole is C=Cc1noc(C=C)c1-c1cc(-c2cccnc2C(F)(F)F)c2[nH]ncc2c1.
What is the InChIKey of 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole?
The InChIKey is WNTNHWNHMCAFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c1-3-15-17(16(4-2)28-27-15)11-8-12-10-25-26-18(12)14(9-11)13-6-5-7-24-19(13)20(21,22)23/h3-10H,1-2H2,(H,25,26).
What are the key properties of 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole?
3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole has a molecular weight of 382.35 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethenyl)-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 153221547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).