(2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C21H27N3O3 — CID 91924638

IUPAC(2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccccc1C(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1
InChIInChI=1S/C21H27N3O3/c1-14(2)18-22-23-19(27-18)17-12-24(13-21(17)8-10-26-11-9-21)20(25)16-7-5-4-6-15(16)3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyNKWFHLUBZKJGCU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.54
Rot. Bonds3

About (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91924638) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91924638
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccccc1C(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1
InChIInChI=1S/C21H27N3O3/c1-14(2)18-22-23-19(27-18)17-12-24(13-21(17)8-10-26-11-9-21)20(25)16-7-5-4-6-15(16)3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyNKWFHLUBZKJGCU-UHFFFAOYSA-N
XLogP3.54
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91924638) is (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is Cc1ccccc1C(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1.
What is the InChIKey of (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is NKWFHLUBZKJGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(2)18-22-23-19(27-18)17-12-24(13-21(17)8-10-26-11-9-21)20(25)16-7-5-4-6-15(16)3/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91924638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).