[3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C21H16Cl2N2O2 — CID 144511543

IUPAC[3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)C1C(c2ccc(Cl)cc2Cl)=NOC1c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c22-15-8-9-16(17(23)11-15)19-18(20(26)14-7-4-10-24-12-14)21(27-25-19)13-5-2-1-3-6-13/h1-12,18,20-21,26H
InChIKeyZGQYJEVFIBJLQF-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.21
Rot. Bonds4

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

[3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 144511543) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID144511543
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name[3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)C1C(c2ccc(Cl)cc2Cl)=NOC1c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c22-15-8-9-16(17(23)11-15)19-18(20(26)14-7-4-10-24-12-14)21(27-25-19)13-5-2-1-3-6-13/h1-12,18,20-21,26H
InChIKeyZGQYJEVFIBJLQF-UHFFFAOYSA-N
XLogP5.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 144506918
[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745417
(2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol
CID 143495010
2-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylpropyl)pyridine;methanamine
CID 143520386
(2R,3S)-4,4,4-trichloro-1-(2,4-dichlorophenyl)-3-hydroxy-2-pyridin-3-ylbutan-1-one
CID 991918
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
CID 58463365
4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 171989075
2-(2,4-dichlorophenyl)-1,3-dipyridin-3-ylpropan-1-ol
CID 70510374
(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114885982
2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274
2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone
CID 86157650

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 144511543) is [3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)C1C(c2ccc(Cl)cc2Cl)=NOC1c1ccccc1.
What is the InChIKey of [3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is ZGQYJEVFIBJLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-15-8-9-16(17(23)11-15)19-18(20(26)14-7-4-10-24-12-14)21(27-25-19)13-5-2-1-3-6-13/h1-12,18,20-21,26H.
What are the key properties of [3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 399.28 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 144511543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).