[3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C20H14BrN3O2 — CID 58463279

IUPAC[3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Br)cc2)noc1-c1ccccn1
InChIInChI=1S/C20H14BrN3O2/c21-15-8-6-13(7-9-15)18-17(19(25)14-4-3-10-22-12-14)20(26-24-18)16-5-1-2-11-23-16/h1-12,19,25H
InChIKeyNKGWMTXUGAESRD-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.64
Rot. Bonds4

About [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 58463279) has the molecular formula C20H14BrN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID58463279
Molecular FormulaC20H14BrN3O2
Molecular Weight408.26 g/mol
Exact Mass407.03
IUPAC Name[3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Br)cc2)noc1-c1ccccn1
InChIInChI=1S/C20H14BrN3O2/c21-15-8-6-13(7-9-15)18-17(19(25)14-4-3-10-22-12-14)20(26-24-18)16-5-1-2-11-23-16/h1-12,19,25H
InChIKeyNKGWMTXUGAESRD-UHFFFAOYSA-N
XLogP4.64
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675031
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674963
4-[5-(2-chlorophenyl)-4-[hydroxy(pyridin-3-yl)methyl]-1,2-oxazol-3-yl]benzonitrile
CID 59674947
pyridin-3-yl-[3-[4-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 87814556
[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674978
[5-(phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675015
(S)-pyridin-2-yl(pyridin-3-yl)methanol
CID 86315351
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
[5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 123606518
[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675028
[5-(4-chlorophenyl)-3-(3-methylbutan-2-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463283
[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463288

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 58463279) is [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Br)cc2)noc1-c1ccccn1.
What is the InChIKey of [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is NKGWMTXUGAESRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2/c21-15-8-6-13(7-9-15)18-17(19(25)14-4-3-10-22-12-14)20(26-24-18)16-5-1-2-11-23-16/h1-12,19,25H.
What are the key properties of [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 408.26 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).