2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C16H21N5O4 — CID 138378613

IUPAC2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C(=O)c3cc(N4CCOCC4)no3)CC2)C(=O)N1
InChIInChI=1S/C16H21N5O4/c1-11-17-15(23)16(18-11)2-4-21(5-3-16)14(22)12-10-13(19-25-12)20-6-8-24-9-7-20/h10H,2-9H2,1H3,(H,17,18,23)
InChIKeyPXPAEWOAOQBELX-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.03
Rot. Bonds2

About 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 138378613) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID138378613
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C(=O)c3cc(N4CCOCC4)no3)CC2)C(=O)N1
InChIInChI=1S/C16H21N5O4/c1-11-17-15(23)16(18-11)2-4-21(5-3-16)14(22)12-10-13(19-25-12)20-6-8-24-9-7-20/h10H,2-9H2,1H3,(H,17,18,23)
InChIKeyPXPAEWOAOQBELX-UHFFFAOYSA-N
XLogP0.03
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
CID 138810204
5-(morpholine-4-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218072
2-methyl-8-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 146041793
3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 138383070
8-[2-(benzotriazol-2-yl)acetyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118785152
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365378
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 119251722
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340830
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 138378613) is 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCN(C(=O)c3cc(N4CCOCC4)no3)CC2)C(=O)N1.
What is the InChIKey of 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is PXPAEWOAOQBELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-11-17-15(23)16(18-11)2-4-21(5-3-16)14(22)12-10-13(19-25-12)20-6-8-24-9-7-20/h10H,2-9H2,1H3,(H,17,18,23).
What are the key properties of 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 347.38 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 138378613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).