(5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

C18H19N3O3 — CID 71895636

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCc1nnc(COC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)o1
InChIInChI=1S/C18H19N3O3/c1-10-6-7-15-14(8-10)12-4-3-5-13(17(12)19-15)18(22)23-9-16-21-20-11(2)24-16/h3-5,10,19H,6-9H2,1-2H3
InChIKeyVROHWEISUZNVHL-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.34
Rot. Bonds3

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (PubChem CID 71895636) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
PubChem CID71895636
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCc1nnc(COC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)o1
InChIInChI=1S/C18H19N3O3/c1-10-6-7-15-14(8-10)12-4-3-5-13(17(12)19-15)18(22)23-9-16-21-20-11(2)24-16/h3-5,10,19H,6-9H2,1-2H3
InChIKeyVROHWEISUZNVHL-UHFFFAOYSA-N
XLogP3.34
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.34
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 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (CID 71895636) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is Cc1nnc(COC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The InChIKey is VROHWEISUZNVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-10-6-7-15-14(8-10)12-4-3-5-13(17(12)19-15)18(22)23-9-16-21-20-11(2)24-16/h3-5,10,19H,6-9H2,1-2H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 3.34, 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 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is sourced from PubChem (CID 71895636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).