5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide

C16H14N4O2 — CID 118425248

IUPAC5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)co1
InChIInChI=1S/C16H14N4O2/c1-9(15-8-22-10(2)19-15)18-16(21)14-6-12-5-11(7-17)3-4-13(12)20-14/h3-6,8-9,20H,1-2H3,(H,18,21)
InChIKeyXZSVPUILYXSWNO-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.83
Rot. Bonds3

About 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide

5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 118425248) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID118425248
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)co1
InChIInChI=1S/C16H14N4O2/c1-9(15-8-22-10(2)19-15)18-16(21)14-6-12-5-11(7-17)3-4-13(12)20-14/h3-6,8-9,20H,1-2H3,(H,18,21)
InChIKeyXZSVPUILYXSWNO-UHFFFAOYSA-N
XLogP2.83
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide (CID 118425248) is 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide is Cc1nc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)co1.
What is the InChIKey of 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is XZSVPUILYXSWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-9(15-8-22-10(2)19-15)18-16(21)14-6-12-5-11(7-17)3-4-13(12)20-14/h3-6,8-9,20H,1-2H3,(H,18,21).
What are the key properties of 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide?
5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[1-(2-methyl-1,3-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118425248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).