9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C14H20N2O3 — CID 56863029

IUPAC9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCc1nc(CN2CCC3(CCCO3)CCC2=O)co1
InChIInChI=1S/C14H20N2O3/c1-11-15-12(10-18-11)9-16-7-6-14(4-2-8-19-14)5-3-13(16)17/h10H,2-9H2,1H3
InChIKeyGWYVXLNEQRLLFP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.04
Rot. Bonds2

About 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56863029) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56863029
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCc1nc(CN2CCC3(CCCO3)CCC2=O)co1
InChIInChI=1S/C14H20N2O3/c1-11-15-12(10-18-11)9-16-7-6-14(4-2-8-19-14)5-3-13(16)17/h10H,2-9H2,1H3
InChIKeyGWYVXLNEQRLLFP-UHFFFAOYSA-N
XLogP2.04
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95711137
9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56880432
(5R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95724662
9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56872805
(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95730261
9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56867345
(5R)-9-[(4-tert-butylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95524921
(5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95723902
(5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95710061
9-[(4-methylnaphthalen-1-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56873072
(5S)-9-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95713030
9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56870328

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56863029) is 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is Cc1nc(CN2CCC3(CCCO3)CCC2=O)co1.
What is the InChIKey of 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is GWYVXLNEQRLLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-15-12(10-18-11)9-16-7-6-14(4-2-8-19-14)5-3-13(16)17/h10H,2-9H2,1H3.
What are the key properties of 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 264.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56863029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).