4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C14H19N3O4 — CID 131645214

IUPAC4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(C)C(=O)COC12CCN(C(=O)c1ccno1)CC2
InChIInChI=1S/C14H19N3O4/c1-10-14(20-9-12(18)16(10)2)4-7-17(8-5-14)13(19)11-3-6-15-21-11/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyJBYYDSMQGCCFOS-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.53
Rot. Bonds1

About 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131645214) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID131645214
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(C)C(=O)COC12CCN(C(=O)c1ccno1)CC2
InChIInChI=1S/C14H19N3O4/c1-10-14(20-9-12(18)16(10)2)4-7-17(8-5-14)13(19)11-3-6-15-21-11/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyJBYYDSMQGCCFOS-UHFFFAOYSA-N
XLogP0.53
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-9-(1H-pyrrole-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131654568
9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 134070740
(5S)-4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471553
9-[2-(5-fluoro-2-pyridinyl)acetyl]-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131683642
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391811
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492507
(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone
CID 130666904
[9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone
CID 56884778
N-methyl-8-(1,2-oxazole-5-carbonyl)-8-azaspiro[4.5]decane-3-carboxamide
CID 134070327
4-methyl-2-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122160328
4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 22240981

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 131645214) is 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(C)C(=O)COC12CCN(C(=O)c1ccno1)CC2.
What is the InChIKey of 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JBYYDSMQGCCFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-14(20-9-12(18)16(10)2)4-7-17(8-5-14)13(19)11-3-6-15-21-11/h3,6,10H,4-5,7-9H2,1-2H3.
What are the key properties of 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 293.32 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131645214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).