N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide

C16H12N4O2S — CID 71781002

IUPACN-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide
SMILESCc1csc(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C16H12N4O2S/c1-9-6-13(23-8-9)15-19-20-16(22-15)18-14(21)11-7-17-12-5-3-2-4-10(11)12/h2-8,17H,1H3,(H,18,20,21)
InChIKeyHUXQKKCIHWDXOB-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.84
Rot. Bonds3

About N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide

N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide (PubChem CID 71781002) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide
PubChem CID71781002
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC NameN-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide
SMILESCc1csc(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C16H12N4O2S/c1-9-6-13(23-8-9)15-19-20-16(22-15)18-14(21)11-7-17-12-5-3-2-4-10(11)12/h2-8,17H,1H3,(H,18,20,21)
InChIKeyHUXQKKCIHWDXOB-UHFFFAOYSA-N
XLogP3.84
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide?
The IUPAC name of N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide (CID 71781002) is N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide is Cc1csc(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)c1.
What is the InChIKey of N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide?
The InChIKey is HUXQKKCIHWDXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-9-6-13(23-8-9)15-19-20-16(22-15)18-14(21)11-7-17-12-5-3-2-4-10(11)12/h2-8,17H,1H3,(H,18,20,21).
What are the key properties of N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide?
N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 71781002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).