1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile

C15H14N4O — CID 107919053

IUPAC1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile
SMILESCCCc1nc(Cn2ccc3c(C#N)cccc32)no1
InChIInChI=1S/C15H14N4O/c1-2-4-15-17-14(18-20-15)10-19-8-7-12-11(9-16)5-3-6-13(12)19/h3,5-8H,2,4,10H2,1H3
InChIKeyMPJHVVSWFJMDDR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.90
Rot. Bonds4

About 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile (PubChem CID 107919053) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile
PubChem CID107919053
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile
SMILESCCCc1nc(Cn2ccc3c(C#N)cccc32)no1
InChIInChI=1S/C15H14N4O/c1-2-4-15-17-14(18-20-15)10-19-8-7-12-11(9-16)5-3-6-13(12)19/h3,5-8H,2,4,10H2,1H3
InChIKeyMPJHVVSWFJMDDR-UHFFFAOYSA-N
XLogP2.90
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 14810796
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 14810798
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810800
5-(1,1-Dimethylpiperidin-1-ium-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole iodide
CID 14810818
5-(1,1-Dimethylpiperidin-1-ium-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole iodide
CID 14810820
[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810832
N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810842
2-[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810844
N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810846

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile?
The IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile (CID 107919053) is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile?
The canonical SMILES for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile is CCCc1nc(Cn2ccc3c(C#N)cccc32)no1.
What is the InChIKey of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile?
The InChIKey is MPJHVVSWFJMDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-4-15-17-14(18-20-15)10-19-8-7-12-11(9-16)5-3-6-13(12)19/h3,5-8H,2,4,10H2,1H3.
What are the key properties of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile?
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile is sourced from PubChem (CID 107919053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).