3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C12H17N3O3 — CID 72889765

IUPAC3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2CC3(CCNCC3)OC2=O)co1
InChIInChI=1S/C12H17N3O3/c1-9-14-10(7-17-9)6-15-8-12(18-11(15)16)2-4-13-5-3-12/h7,13H,2-6,8H2,1H3
InChIKeyZATANBDYUNDLCD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.06
Rot. Bonds2

About 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72889765) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72889765
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2CC3(CCNCC3)OC2=O)co1
InChIInChI=1S/C12H17N3O3/c1-9-14-10(7-17-9)6-15-8-12(18-11(15)16)2-4-13-5-3-12/h7,13H,2-6,8H2,1H3
InChIKeyZATANBDYUNDLCD-UHFFFAOYSA-N
XLogP1.06
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72889765) is 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2CC3(CCNCC3)OC2=O)co1.
What is the InChIKey of 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZATANBDYUNDLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-14-10(7-17-9)6-15-8-12(18-11(15)16)2-4-13-5-3-12/h7,13H,2-6,8H2,1H3.
What are the key properties of 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 251.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72889765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).