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

C24H14ClF3N4O2 — CID 91161999

IUPAC[1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2ccccn2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H14ClF3N4O2/c25-15-10-8-14(9-11-15)13-32-18-7-2-1-5-16(18)19(21(32)24(26,27)28)20(33)23-30-22(31-34-23)17-6-3-4-12-29-17/h1-12H,13H2
InChIKeyCOJNKOJMWAKMEQ-UHFFFAOYSA-N
MW482.85 g/mol
LogP6.04
Rot. Bonds5

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

[1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 91161999) has the molecular formula C24H14ClF3N4O2 and a molecular weight of 482.85 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID91161999
Molecular FormulaC24H14ClF3N4O2
Molecular Weight482.85 g/mol
Exact Mass482.08
IUPAC Name[1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2ccccn2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H14ClF3N4O2/c25-15-10-8-14(9-11-15)13-32-18-7-2-1-5-16(18)19(21(32)24(26,27)28)20(33)23-30-22(31-34-23)17-6-3-4-12-29-17/h1-12H,13H2
InChIKeyCOJNKOJMWAKMEQ-UHFFFAOYSA-N
XLogP6.04
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.85
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone (CID 91161999) is [1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone is O=C(c1nc(-c2ccccn2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is COJNKOJMWAKMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF3N4O2/c25-15-10-8-14(9-11-15)13-32-18-7-2-1-5-16(18)19(21(32)24(26,27)28)20(33)23-30-22(31-34-23)17-6-3-4-12-29-17/h1-12H,13H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
[1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 482.85 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 91161999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).