3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one

C15H22ClN3O2 — CID 56867924

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H22ClN3O2/c16-13-11-12(21-18-13)1-2-14(20)19-9-5-15(6-10-19)3-7-17-8-4-15/h11,17H,1-10H2
InChIKeyGVOUBSMKRPWUIP-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.25
Rot. Bonds3

About 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one (PubChem CID 56867924) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
PubChem CID56867924
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H22ClN3O2/c16-13-11-12(21-18-13)1-2-14(20)19-9-5-15(6-10-19)3-7-17-8-4-15/h11,17H,1-10H2
InChIKeyGVOUBSMKRPWUIP-UHFFFAOYSA-N
XLogP2.25
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one (CID 56867924) is 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one is O=C(CCc1cc(Cl)no1)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one?
The InChIKey is GVOUBSMKRPWUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-13-11-12(21-18-13)1-2-14(20)19-9-5-15(6-10-19)3-7-17-8-4-15/h11,17H,1-10H2.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one has a molecular weight of 311.81 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-(3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one is sourced from PubChem (CID 56867924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).