3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole

C22H30N4O — CID 72841457

IUPAC3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(N2CCC3(CC2)CC(c2ccccc2)CN(C2CC2)C3)no1
InChIInChI=1S/C22H30N4O/c1-2-20-23-21(24-27-20)25-12-10-22(11-13-25)14-18(17-6-4-3-5-7-17)15-26(16-22)19-8-9-19/h3-7,18-19H,2,8-16H2,1H3
InChIKeySBTOFLAXCLPACA-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.87
Rot. Bonds4

About 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole

3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole (PubChem CID 72841457) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
PubChem CID72841457
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(N2CCC3(CC2)CC(c2ccccc2)CN(C2CC2)C3)no1
InChIInChI=1S/C22H30N4O/c1-2-20-23-21(24-27-20)25-12-10-22(11-13-25)14-18(17-6-4-3-5-7-17)15-26(16-22)19-8-9-19/h3-7,18-19H,2,8-16H2,1H3
InChIKeySBTOFLAXCLPACA-UHFFFAOYSA-N
XLogP3.87
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole (CID 72841457) is 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole is CCc1nc(N2CCC3(CC2)CC(c2ccccc2)CN(C2CC2)C3)no1.
What is the InChIKey of 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole?
The InChIKey is SBTOFLAXCLPACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-20-23-21(24-27-20)25-12-10-22(11-13-25)14-18(17-6-4-3-5-7-17)15-26(16-22)19-8-9-19/h3-7,18-19H,2,8-16H2,1H3.
What are the key properties of 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole?
3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole has a molecular weight of 366.51 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 72841457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).