[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone

C25H16ClF3N4O3 — CID 67243608

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H16ClF3N4O3/c1-35-17-8-9-19-18(11-17)20(21(34)24-32-31-23(36-24)15-3-2-10-30-12-15)22(25(27,28)29)33(19)13-14-4-6-16(26)7-5-14/h2-12H,13H2,1H3
InChIKeyYZHGIBNEKQPGFL-UHFFFAOYSA-N
MW512.88 g/mol
LogP6.05
Rot. Bonds6

About [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 67243608) has the molecular formula C25H16ClF3N4O3 and a molecular weight of 512.88 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID67243608
Molecular FormulaC25H16ClF3N4O3
Molecular Weight512.88 g/mol
Exact Mass512.09
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H16ClF3N4O3/c1-35-17-8-9-19-18(11-17)20(21(34)24-32-31-23(36-24)15-3-2-10-30-12-15)22(25(27,28)29)33(19)13-14-4-6-16(26)7-5-14/h2-12H,13H2,1H3
InChIKeyYZHGIBNEKQPGFL-UHFFFAOYSA-N
XLogP6.05
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.88
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone (CID 67243608) is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone is COc1ccc2c(c1)c(C(=O)c1nnc(-c3cccnc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is YZHGIBNEKQPGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF3N4O3/c1-35-17-8-9-19-18(11-17)20(21(34)24-32-31-23(36-24)15-3-2-10-30-12-15)22(25(27,28)29)33(19)13-14-4-6-16(26)7-5-14/h2-12H,13H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 512.88 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 67243608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).