2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide

C15H15N3O2 — CID 103939765

IUPAC2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3ccno3)cc2c1C
InChIInChI=1S/C15H15N3O2/c1-9-10(2)18-14-4-3-11(7-13(9)14)15(19)16-8-12-5-6-17-20-12/h3-7,18H,8H2,1-2H3,(H,16,19)
InChIKeyVQEZGOIHEOWVAA-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.70
Rot. Bonds3

About 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide

2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide (PubChem CID 103939765) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide
PubChem CID103939765
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3ccno3)cc2c1C
InChIInChI=1S/C15H15N3O2/c1-9-10(2)18-14-4-3-11(7-13(9)14)15(19)16-8-12-5-6-17-20-12/h3-7,18H,8H2,1-2H3,(H,16,19)
InChIKeyVQEZGOIHEOWVAA-UHFFFAOYSA-N
XLogP2.70
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 60778936
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide (CID 103939765) is 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCc3ccno3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide?
The InChIKey is VQEZGOIHEOWVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-10(2)18-14-4-3-11(7-13(9)14)15(19)16-8-12-5-6-17-20-12/h3-7,18H,8H2,1-2H3,(H,16,19).
What are the key properties of 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 103939765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).