[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone

C25H29N5O2 — CID 166084041

IUPAC[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)(C)c1nc(-c2ccc(C(=O)N3CC4(CC(n5ccc(C6CC6)n5)C4)C3)cc2)no1
InChIInChI=1S/C25H29N5O2/c1-24(2,3)23-26-21(28-32-23)17-6-8-18(9-7-17)22(31)29-14-25(15-29)12-19(13-25)30-11-10-20(27-30)16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3
InChIKeySDFADUFDLQRGOP-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.59
Rot. Bonds4

About [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone

[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 166084041) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID166084041
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)(C)c1nc(-c2ccc(C(=O)N3CC4(CC(n5ccc(C6CC6)n5)C4)C3)cc2)no1
InChIInChI=1S/C25H29N5O2/c1-24(2,3)23-26-21(28-32-23)17-6-8-18(9-7-17)22(31)29-14-25(15-29)12-19(13-25)30-11-10-20(27-30)16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3
InChIKeySDFADUFDLQRGOP-UHFFFAOYSA-N
XLogP4.59
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 166084041) is [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is CC(C)(C)c1nc(-c2ccc(C(=O)N3CC4(CC(n5ccc(C6CC6)n5)C4)C3)cc2)no1.
What is the InChIKey of [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is SDFADUFDLQRGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-24(2,3)23-26-21(28-32-23)17-6-8-18(9-7-17)22(31)29-14-25(15-29)12-19(13-25)30-11-10-20(27-30)16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3.
What are the key properties of [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(3-cyclopropylpyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 166084041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).