[5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol

C19H14BrFN2O2S — CID 67324511

IUPAC[5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol
SMILESOCN1OC(c2ccc(Br)s2)C(c2cccnc2)=C1c1ccccc1F
InChIInChI=1S/C19H14BrFN2O2S/c20-16-8-7-15(26-16)19-17(12-4-3-9-22-10-12)18(23(11-24)25-19)13-5-1-2-6-14(13)21/h1-10,19,24H,11H2
InChIKeyVYYZSOKFLJPHLP-UHFFFAOYSA-N
MW433.30 g/mol
LogP4.85
Rot. Bonds4

About [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol

[5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol (PubChem CID 67324511) has the molecular formula C19H14BrFN2O2S and a molecular weight of 433.30 g/mol. Its IUPAC name is [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol
PubChem CID67324511
Molecular FormulaC19H14BrFN2O2S
Molecular Weight433.30 g/mol
Exact Mass431.99
IUPAC Name[5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol
SMILESOCN1OC(c2ccc(Br)s2)C(c2cccnc2)=C1c1ccccc1F
InChIInChI=1S/C19H14BrFN2O2S/c20-16-8-7-15(26-16)19-17(12-4-3-9-22-10-12)18(23(11-24)25-19)13-5-1-2-6-14(13)21/h1-10,19,24H,11H2
InChIKeyVYYZSOKFLJPHLP-UHFFFAOYSA-N
XLogP4.85
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol?
The IUPAC name of [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol (CID 67324511) is [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol.
What is the SMILES notation for [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol?
The canonical SMILES for [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol is OCN1OC(c2ccc(Br)s2)C(c2cccnc2)=C1c1ccccc1F.
What is the InChIKey of [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol?
The InChIKey is VYYZSOKFLJPHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN2O2S/c20-16-8-7-15(26-16)19-17(12-4-3-9-22-10-12)18(23(11-24)25-19)13-5-1-2-6-14(13)21/h1-10,19,24H,11H2.
What are the key properties of [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol?
[5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol has a molecular weight of 433.30 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)-4-pyridin-3-yl-5H-1,2-oxazol-2-yl]methanol is sourced from PubChem (CID 67324511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).