(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

C12H15N3O3 — CID 97492507

IUPAC(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@]12CCN(C(=O)c1ccno1)C2
InChIInChI=1S/C12H15N3O3/c1-13-10(16)8-6-12(8)3-5-15(7-12)11(17)9-2-4-14-18-9/h2,4,8H,3,5-7H2,1H3,(H,13,16)/t8-,12-/m0/s1
InChIKeyRYRRFWVTMATSTF-UFBFGSQYSA-N
MW249.27 g/mol
LogP0.27
Rot. Bonds2

About (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97492507) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97492507
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@]12CCN(C(=O)c1ccno1)C2
InChIInChI=1S/C12H15N3O3/c1-13-10(16)8-6-12(8)3-5-15(7-12)11(17)9-2-4-14-18-9/h2,4,8H,3,5-7H2,1H3,(H,13,16)/t8-,12-/m0/s1
InChIKeyRYRRFWVTMATSTF-UFBFGSQYSA-N
XLogP0.27
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-8-(1,2-oxazole-5-carbonyl)-8-azaspiro[4.5]decane-3-carboxamide
CID 134070327
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
(5S,9S)-2-(furan-2-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896788
(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone
CID 130666904
2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455
N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 131646854
4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131645214
(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895593
2-methyl-1-[(5R)-7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
CID 97473084
(2R,3R)-5-(2-methylbenzoyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493190
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone
CID 110139275

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 97492507) is (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is CNC(=O)[C@@H]1C[C@]12CCN(C(=O)c1ccno1)C2.
What is the InChIKey of (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is RYRRFWVTMATSTF-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-13-10(16)8-6-12(8)3-5-15(7-12)11(17)9-2-4-14-18-9/h2,4,8H,3,5-7H2,1H3,(H,13,16)/t8-,12-/m0/s1.
What are the key properties of (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97492507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).