(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate

C15H15N3O3 — CID 18104064

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1nnc(COC(=O)c2ccc3[nH]c(C)c(C)c3c2)o1
InChIInChI=1S/C15H15N3O3/c1-8-9(2)16-13-5-4-11(6-12(8)13)15(19)20-7-14-18-17-10(3)21-14/h4-6,16H,7H2,1-3H3
InChIKeyOSSFWAHTWAPOCI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.83
Rot. Bonds3

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate (PubChem CID 18104064) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
PubChem CID18104064
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1nnc(COC(=O)c2ccc3[nH]c(C)c(C)c3c2)o1
InChIInChI=1S/C15H15N3O3/c1-8-9(2)16-13-5-4-11(6-12(8)13)15(19)20-7-14-18-17-10(3)21-14/h4-6,16H,7H2,1-3H3
InChIKeyOSSFWAHTWAPOCI-UHFFFAOYSA-N
XLogP2.83
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate (CID 18104064) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate is Cc1nnc(COC(=O)c2ccc3[nH]c(C)c(C)c3c2)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate?
The InChIKey is OSSFWAHTWAPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-9(2)16-13-5-4-11(6-12(8)13)15(19)20-7-14-18-17-10(3)21-14/h4-6,16H,7H2,1-3H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate is sourced from PubChem (CID 18104064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).