3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole

C23H15F2N3O — CID 90031250

IUPAC3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
SMILESCc1ccccc1-n1nccc1-c1ccc2noc(-c3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C23H15F2N3O/c1-14-4-2-3-5-21(14)28-22(10-11-26-28)15-7-9-20-17(12-15)23(29-27-20)16-6-8-18(24)19(25)13-16/h2-13H,1H3
InChIKeyVTCNQYHEWMYDOQ-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.93
Rot. Bonds3

About 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole

3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole (PubChem CID 90031250) has the molecular formula C23H15F2N3O and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
PubChem CID90031250
Molecular FormulaC23H15F2N3O
Molecular Weight387.39 g/mol
Exact Mass387.12
IUPAC Name3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
SMILESCc1ccccc1-n1nccc1-c1ccc2noc(-c3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C23H15F2N3O/c1-14-4-2-3-5-21(14)28-22(10-11-26-28)15-7-9-20-17(12-15)23(29-27-20)16-6-8-18(24)19(25)13-16/h2-13H,1H3
InChIKeyVTCNQYHEWMYDOQ-UHFFFAOYSA-N
XLogP5.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
CID 73052847
3-(4-chlorophenyl)-5-(2-phenylpyrazol-3-yl)-2,1-benzoxazole
CID 2765354
3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
CID 73053004
5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
CID 73053293
5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
CID 73053002
3,5-diphenyl-2,1-benzoxazole
CID 15446367
2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725487
5-[3,6-bis(4-methylphenyl)pyridazin-4-yl]-3-(4-chlorophenyl)-2,1-benzoxazole
CID 18874666
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
CID 11731192
3-(4-fluorophenyl)-1-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 5179567
bis(carbamothioic S-acid);2-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide;methane;prop-1-ene;hydrate
CID 173207550
2-(2,4-difluorophenyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 97051340

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole (CID 90031250) is 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole is Cc1ccccc1-n1nccc1-c1ccc2noc(-c3ccc(F)c(F)c3)c2c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The InChIKey is VTCNQYHEWMYDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O/c1-14-4-2-3-5-21(14)28-22(10-11-26-28)15-7-9-20-17(12-15)23(29-27-20)16-6-8-18(24)19(25)13-16/h2-13H,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole?
3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole has a molecular weight of 387.39 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole is sourced from PubChem (CID 90031250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).