N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide

C13H11N3O2 — CID 2814136

IUPACN-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]ccc3c2)no1
InChIInChI=1S/C13H11N3O2/c1-8-6-12(16-18-8)13(17)15-10-2-3-11-9(7-10)4-5-14-11/h2-7,14H,1H3,(H,15,17)
InChIKeyVJGHVVSAQTZVLK-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.72
Rot. Bonds2

About N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 2814136) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID2814136
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]ccc3c2)no1
InChIInChI=1S/C13H11N3O2/c1-8-6-12(16-18-8)13(17)15-10-2-3-11-9(7-10)4-5-14-11/h2-7,14H,1H3,(H,15,17)
InChIKeyVJGHVVSAQTZVLK-UHFFFAOYSA-N
XLogP2.72
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 2814136) is N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)no1.
What is the InChIKey of N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VJGHVVSAQTZVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-6-12(16-18-8)13(17)15-10-2-3-11-9(7-10)4-5-14-11/h2-7,14H,1H3,(H,15,17).
What are the key properties of N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2814136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).