2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile

C20H13N5OS — CID 135570358

IUPAC2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CSc2nnc(-c3c[nH]c4ccccc34)o2)cn2ccccc12
InChIInChI=1S/C20H13N5OS/c21-9-15-13(11-25-8-4-3-7-18(15)25)12-27-20-24-23-19(26-20)16-10-22-17-6-2-1-5-14(16)17/h1-8,10-11,22H,12H2
InChIKeyMTLQMEXELSOVBV-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.63
Rot. Bonds4

About 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile

2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile (PubChem CID 135570358) has the molecular formula C20H13N5OS and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile
PubChem CID135570358
Molecular FormulaC20H13N5OS
Molecular Weight371.43 g/mol
Exact Mass371.08
IUPAC Name2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CSc2nnc(-c3c[nH]c4ccccc34)o2)cn2ccccc12
InChIInChI=1S/C20H13N5OS/c21-9-15-13(11-25-8-4-3-7-18(15)25)12-27-20-24-23-19(26-20)16-10-22-17-6-2-1-5-14(16)17/h1-8,10-11,22H,12H2
InChIKeyMTLQMEXELSOVBV-UHFFFAOYSA-N
XLogP4.63
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile with MolForge

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Related Compounds

2-benzylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 858959
2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 135623350
2-(1H-indol-3-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 858951
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135588019
2-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135813308
2-(1H-indol-3-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 135798291
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135558011
2-(2H-triazol-4-ylsulfanylmethyl)indolizine-1-carbonitrile
CID 75379263
2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 4821152
2-(furan-2-yl)-5-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 135569596
(E)-3-amino-2-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile
CID 135686774

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile (CID 135570358) is 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile is N#Cc1c(CSc2nnc(-c3c[nH]c4ccccc34)o2)cn2ccccc12.
What is the InChIKey of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile?
The InChIKey is MTLQMEXELSOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5OS/c21-9-15-13(11-25-8-4-3-7-18(15)25)12-27-20-24-23-19(26-20)16-10-22-17-6-2-1-5-14(16)17/h1-8,10-11,22H,12H2.
What are the key properties of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile?
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile has a molecular weight of 371.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indolizine-1-carbonitrile is sourced from PubChem (CID 135570358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).