4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

C16H24N4O4 — CID 155858214

IUPAC4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCN(C)C2(CCN(C(=O)c3cc(OC)no3)CC2)C1=O
InChIInChI=1S/C16H24N4O4/c1-4-19-10-9-18(2)16(15(19)22)5-7-20(8-6-16)14(21)12-11-13(23-3)17-24-12/h11H,4-10H2,1-3H3
InChIKeyCKYLVHXMCVZHIO-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.45
Rot. Bonds3

About 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 155858214) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID155858214
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCN(C)C2(CCN(C(=O)c3cc(OC)no3)CC2)C1=O
InChIInChI=1S/C16H24N4O4/c1-4-19-10-9-18(2)16(15(19)22)5-7-20(8-6-16)14(21)12-11-13(23-3)17-24-12/h11H,4-10H2,1-3H3
InChIKeyCKYLVHXMCVZHIO-UHFFFAOYSA-N
XLogP0.45
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one with MolForge

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Related Compounds

(3-methoxy-1,2-oxazol-5-yl)-(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131681792
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131689476
4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495690
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 90573723
(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573738
(3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131684045
4-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138993831
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90573958
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373327
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131685917
[(5R,9S)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131681789

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 155858214) is 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one is CCN1CCN(C)C2(CCN(C(=O)c3cc(OC)no3)CC2)C1=O.
What is the InChIKey of 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is CKYLVHXMCVZHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-4-19-10-9-18(2)16(15(19)22)5-7-20(8-6-16)14(21)12-11-13(23-3)17-24-12/h11H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 336.39 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 155858214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).