5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

C14H14ClN3O — CID 103475272

IUPAC5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(Cn2ccc3cccc(Cl)c32)n1
InChIInChI=1S/C14H14ClN3O/c1-9(2)14-16-12(19-17-14)8-18-7-6-10-4-3-5-11(15)13(10)18/h3-7,9H,8H2,1-2H3
InChIKeyZCAMECMWORYDRA-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.85
Rot. Bonds3

About 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 103475272) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID103475272
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(Cn2ccc3cccc(Cl)c32)n1
InChIInChI=1S/C14H14ClN3O/c1-9(2)14-16-12(19-17-14)8-18-7-6-10-4-3-5-11(15)13(10)18/h3-7,9H,8H2,1-2H3
InChIKeyZCAMECMWORYDRA-UHFFFAOYSA-N
XLogP3.85
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 115637804
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
3-(7-chloroindol-1-yl)-2-methylpropanenitrile
CID 83968673
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde
CID 102911290
5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole
CID 103475549
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47020393
7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 103475068
5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 115616737
7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole
CID 103475099
N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 30891214
[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66399089

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 103475272) is 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(Cn2ccc3cccc(Cl)c32)n1.
What is the InChIKey of 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is ZCAMECMWORYDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9(2)14-16-12(19-17-14)8-18-7-6-10-4-3-5-11(15)13(10)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 275.74 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 103475272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).