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

C21H16Cl2N2O2 — CID 144506918

IUPAC[5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)C1C(c2ccc(Cl)cc2)=NOC1c1cccc(Cl)c1
InChIInChI=1S/C21H16Cl2N2O2/c22-16-8-6-13(7-9-16)19-18(20(26)15-4-2-10-24-12-15)21(27-25-19)14-3-1-5-17(23)11-14/h1-12,18,20-21,26H
InChIKeyNKLKLTKXGNFAEQ-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.21
Rot. Bonds4

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

[5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 144506918) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID144506918
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name[5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)C1C(c2ccc(Cl)cc2)=NOC1c1cccc(Cl)c1
InChIInChI=1S/C21H16Cl2N2O2/c22-16-8-6-13(7-9-16)19-18(20(26)15-4-2-10-24-12-15)21(27-25-19)14-3-1-5-17(23)11-14/h1-12,18,20-21,26H
InChIKeyNKLKLTKXGNFAEQ-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

Analyze [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol with MolForge

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Related Compounds

[3-(2,4-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 144511543
(2,4-diphenyl-2,3-dihydrothiophen-3-yl)-pyridin-3-ylmethanol
CID 143495010
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675028
[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463442
[3-(4-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883255
(E)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methyl]-3-pyridin-3-ylprop-1-ene-1,3-diol
CID 143201409
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
CID 63016855
[5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883193
(3-chlorophenyl)methanediol
CID 20679602
[1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol
CID 90710853

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 144506918) is [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)C1C(c2ccc(Cl)cc2)=NOC1c1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is NKLKLTKXGNFAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-16-8-6-13(7-9-16)19-18(20(26)15-4-2-10-24-12-15)21(27-25-19)14-3-1-5-17(23)11-14/h1-12,18,20-21,26H.
What are the key properties of [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[5-(3-chlorophenyl)-3-(4-chlorophenyl)-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 [5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 144506918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).