[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone

C24H14ClF3N4O3 — CID 67247271

IUPAC[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C24H14ClF3N4O3/c25-14-3-1-13(2-4-14)11-32-18-6-5-15(33)9-16(18)20(22(32)24(26,27)28)21(34)23-30-10-19(35-23)17-7-8-29-12-31-17/h1-10,12,33H,11H2
InChIKeySYYQJSSTRPCHIC-UHFFFAOYSA-N
MW498.85 g/mol
LogP5.74
Rot. Bonds5

About [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone (PubChem CID 67247271) has the molecular formula C24H14ClF3N4O3 and a molecular weight of 498.85 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone
PubChem CID67247271
Molecular FormulaC24H14ClF3N4O3
Molecular Weight498.85 g/mol
Exact Mass498.07
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C24H14ClF3N4O3/c25-14-3-1-13(2-4-14)11-32-18-6-5-15(33)9-16(18)20(22(32)24(26,27)28)21(34)23-30-10-19(35-23)17-7-8-29-12-31-17/h1-10,12,33H,11H2
InChIKeySYYQJSSTRPCHIC-UHFFFAOYSA-N
XLogP5.74
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.85
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone (CID 67247271) is [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is SYYQJSSTRPCHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF3N4O3/c25-14-3-1-13(2-4-14)11-32-18-6-5-15(33)9-16(18)20(22(32)24(26,27)28)21(34)23-30-10-19(35-23)17-7-8-29-12-31-17/h1-10,12,33H,11H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 498.85 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67247271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).