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

C25H19ClN4O3 — CID 67243829

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1noc(-c3cccnc3)n1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN4O3/c1-15-22(23(31)24-28-25(33-29-24)17-4-3-11-27-13-17)20-12-19(32-2)9-10-21(20)30(15)14-16-5-7-18(26)8-6-16/h3-13H,14H2,1-2H3
InChIKeyNNMJKTZGOKOHQH-UHFFFAOYSA-N
MW458.91 g/mol
LogP5.34
Rot. Bonds6

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

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 67243829) has the molecular formula C25H19ClN4O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID67243829
Molecular FormulaC25H19ClN4O3
Molecular Weight458.91 g/mol
Exact Mass458.11
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1noc(-c3cccnc3)n1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN4O3/c1-15-22(23(31)24-28-25(33-29-24)17-4-3-11-27-13-17)20-12-19(32-2)9-10-21(20)30(15)14-16-5-7-18(26)8-6-16/h3-13H,14H2,1-2H3
InChIKeyNNMJKTZGOKOHQH-UHFFFAOYSA-N
XLogP5.34
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.91
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67244494
[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67244617
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67244996
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67246558
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone
CID 67243319
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244333
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-pyridin-3-yl-1,3-oxazol-5-yl)methanone
CID 67242807
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone
CID 67244092
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyrazin-2-yl-1,3-oxazol-4-yl)methanone
CID 67245215
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
CID 67243848
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244288
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone
CID 91469867

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone (CID 67243829) is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone is COc1ccc2c(c1)c(C(=O)c1noc(-c3cccnc3)n1)c(C)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is NNMJKTZGOKOHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3/c1-15-22(23(31)24-28-25(33-29-24)17-4-3-11-27-13-17)20-12-19(32-2)9-10-21(20)30(15)14-16-5-7-18(26)8-6-16/h3-13H,14H2,1-2H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 458.91 g/mol, XLogP of 5.34, 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-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 67243829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).