[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone

C20H17N3O2 — CID 71984066

IUPAC[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
SMILESCc1nnc(-c2cccc(C(=O)N3CC4(CC4)c4ccccc43)c2)o1
InChIInChI=1S/C20H17N3O2/c1-13-21-22-18(25-13)14-5-4-6-15(11-14)19(24)23-12-20(9-10-20)16-7-2-3-8-17(16)23/h2-8,11H,9-10,12H2,1H3
InChIKeyZKEOUYQWTNIQDX-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.74
Rot. Bonds2

About [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone

[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone (PubChem CID 71984066) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone.

Molecular Properties

Compound Name[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
PubChem CID71984066
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
SMILESCc1nnc(-c2cccc(C(=O)N3CC4(CC4)c4ccccc43)c2)o1
InChIInChI=1S/C20H17N3O2/c1-13-21-22-18(25-13)14-5-4-6-15(11-14)19(24)23-12-20(9-10-20)16-7-2-3-8-17(16)23/h2-8,11H,9-10,12H2,1H3
InChIKeyZKEOUYQWTNIQDX-UHFFFAOYSA-N
XLogP3.74
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
The IUPAC name of [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone (CID 71984066) is [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone.
What is the SMILES notation for [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
The canonical SMILES for [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone is Cc1nnc(-c2cccc(C(=O)N3CC4(CC4)c4ccccc43)c2)o1.
What is the InChIKey of [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
The InChIKey is ZKEOUYQWTNIQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-21-22-18(25-13)14-5-4-6-15(11-14)19(24)23-12-20(9-10-20)16-7-2-3-8-17(16)23/h2-8,11H,9-10,12H2,1H3.
What are the key properties of [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone has a molecular weight of 331.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone is sourced from PubChem (CID 71984066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).