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

C23H15Cl2N5O3 — CID 67244996

IUPAC[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1noc(-c3ccncn3)n1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl2N5O3/c1-32-15-6-7-18-16(10-15)19(21(25)30(18)11-13-2-4-14(24)5-3-13)20(31)22-28-23(33-29-22)17-8-9-26-12-27-17/h2-10,12H,11H2,1H3
InChIKeyDNSLJJYJIAACIX-UHFFFAOYSA-N
MW480.31 g/mol
LogP5.08
Rot. Bonds6

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

[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 67244996) has the molecular formula C23H15Cl2N5O3 and a molecular weight of 480.31 g/mol. Its IUPAC name is [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID67244996
Molecular FormulaC23H15Cl2N5O3
Molecular Weight480.31 g/mol
Exact Mass479.06
IUPAC Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1noc(-c3ccncn3)n1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl2N5O3/c1-32-15-6-7-18-16(10-15)19(21(25)30(18)11-13-2-4-14(24)5-3-13)20(31)22-28-23(33-29-22)17-8-9-26-12-27-17/h2-10,12H,11H2,1H3
InChIKeyDNSLJJYJIAACIX-UHFFFAOYSA-N
XLogP5.08
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.31
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243396
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
CID 67243848
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243829
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244453
[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244935
[1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67244842
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 24969528
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244862
[2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
CID 67245185
[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 87322899
[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67244949
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68911820

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone (CID 67244996) is [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone is COc1ccc2c(c1)c(C(=O)c1noc(-c3ccncn3)n1)c(Cl)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is DNSLJJYJIAACIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N5O3/c1-32-15-6-7-18-16(10-15)19(21(25)30(18)11-13-2-4-14(24)5-3-13)20(31)22-28-23(33-29-22)17-8-9-26-12-27-17/h2-10,12H,11H2,1H3.
What are the key properties of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 480.31 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 67244996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).