2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

C24H31N3O3 — CID 135092562

IUPAC2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CCC2(CCCCCC2)C1
InChIInChI=1S/C24H31N3O3/c28-23(27-13-12-24(18-27)10-6-1-2-7-11-24)20-21(19-8-4-3-5-9-19)30-25-22(20)26-14-16-29-17-15-26/h3-5,8-9H,1-2,6-7,10-18H2
InChIKeyWPVRGVUXJILWBK-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.36
Rot. Bonds3

About 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 135092562) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID135092562
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CCC2(CCCCCC2)C1
InChIInChI=1S/C24H31N3O3/c28-23(27-13-12-24(18-27)10-6-1-2-7-11-24)20-21(19-8-4-3-5-9-19)30-25-22(20)26-14-16-29-17-15-26/h3-5,8-9H,1-2,6-7,10-18H2
InChIKeyWPVRGVUXJILWBK-UHFFFAOYSA-N
XLogP4.36
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone (CID 135092562) is 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone is O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CCC2(CCCCCC2)C1.
What is the InChIKey of 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is WPVRGVUXJILWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-23(27-13-12-24(18-27)10-6-1-2-7-11-24)20-21(19-8-4-3-5-9-19)30-25-22(20)26-14-16-29-17-15-26/h3-5,8-9H,1-2,6-7,10-18H2.
What are the key properties of 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 409.53 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 135092562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).