(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

C13H19N3O2 — CID 97399153

IUPAC(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1noc(C)c1CN1C[C@@]2(CCNC2)CC1=O
InChIInChI=1S/C13H19N3O2/c1-9-11(10(2)18-15-9)6-16-8-13(5-12(16)17)3-4-14-7-13/h14H,3-8H2,1-2H3/t13-/m0/s1
InChIKeySAJOWCGDAPLQGJ-ZDUSSCGKSA-N
MW249.31 g/mol
LogP1.00
Rot. Bonds2

About (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97399153) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97399153
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1noc(C)c1CN1C[C@@]2(CCNC2)CC1=O
InChIInChI=1S/C13H19N3O2/c1-9-11(10(2)18-15-9)6-16-8-13(5-12(16)17)3-4-14-7-13/h14H,3-8H2,1-2H3/t13-/m0/s1
InChIKeySAJOWCGDAPLQGJ-ZDUSSCGKSA-N
XLogP1.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 72931062
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1H-imidazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72886185
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134077860
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374212
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72919828
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97399170
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131657386
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131648152
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155867531
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374214
4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 72853756
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131658459

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 97399153) is (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is Cc1noc(C)c1CN1C[C@@]2(CCNC2)CC1=O.
What is the InChIKey of (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is SAJOWCGDAPLQGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-11(10(2)18-15-9)6-16-8-13(5-12(16)17)3-4-14-7-13/h14H,3-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97399153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).