[2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone

C23H14Cl2N4O3 — CID 67245185

IUPAC[2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C23H14Cl2N4O3/c24-14-3-1-13(2-4-14)11-29-18-6-5-15(30)9-16(18)20(22(29)25)21(31)19-10-27-23(32-19)17-7-8-26-12-28-17/h1-10,12,30H,11H2
InChIKeyUIAAAYFMOWFTRX-UHFFFAOYSA-N
MW465.30 g/mol
LogP5.38
Rot. Bonds5

About [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone

[2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone (PubChem CID 67245185) has the molecular formula C23H14Cl2N4O3 and a molecular weight of 465.30 g/mol. Its IUPAC name is [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
PubChem CID67245185
Molecular FormulaC23H14Cl2N4O3
Molecular Weight465.30 g/mol
Exact Mass464.04
IUPAC Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C23H14Cl2N4O3/c24-14-3-1-13(2-4-14)11-29-18-6-5-15(30)9-16(18)20(22(29)25)21(31)19-10-27-23(32-19)17-7-8-26-12-28-17/h1-10,12,30H,11H2
InChIKeyUIAAAYFMOWFTRX-UHFFFAOYSA-N
XLogP5.38
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.30
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone (CID 67245185) is [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone is O=C(c1cnc(-c2ccncn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12.
What is the InChIKey of [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is UIAAAYFMOWFTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O3/c24-14-3-1-13(2-4-14)11-29-18-6-5-15(30)9-16(18)20(22(29)25)21(31)19-10-27-23(32-19)17-7-8-26-12-28-17/h1-10,12,30H,11H2.
What are the key properties of [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone?
[2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 465.30 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 67245185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).