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

C17H13N3O2S — CID 33313261

IUPACN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H13N3O2S/c21-16(14-8-11-4-1-2-5-13(11)20-14)18-9-12-10-22-17(19-12)15-6-3-7-23-15/h1-8,10,20H,9H2,(H,18,21)
InChIKeyCCZIPYHZQPHHHX-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.81
Rot. Bonds4

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

N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 33313261) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide
PubChem CID33313261
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H13N3O2S/c21-16(14-8-11-4-1-2-5-13(11)20-14)18-9-12-10-22-17(19-12)15-6-3-7-23-15/h1-8,10,20H,9H2,(H,18,21)
InChIKeyCCZIPYHZQPHHHX-UHFFFAOYSA-N
XLogP3.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide (CID 33313261) is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide is O=C(NCc1coc(-c2cccs2)n1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is CCZIPYHZQPHHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-16(14-8-11-4-1-2-5-13(11)20-14)18-9-12-10-22-17(19-12)15-6-3-7-23-15/h1-8,10,20H,9H2,(H,18,21).
What are the key properties of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide?
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 33313261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).