[3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone

C12H17N3O2 — CID 166306248

IUPAC[3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CC(N(C)C3CC3)C2)o1
InChIInChI=1S/C12H17N3O2/c1-8-13-5-11(17-8)12(16)15-6-10(7-15)14(2)9-3-4-9/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeyIIZOHFYDTWBXFV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.90
Rot. Bonds3

About [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone

[3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 166306248) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone
PubChem CID166306248
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CC(N(C)C3CC3)C2)o1
InChIInChI=1S/C12H17N3O2/c1-8-13-5-11(17-8)12(16)15-6-10(7-15)14(2)9-3-4-9/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeyIIZOHFYDTWBXFV-UHFFFAOYSA-N
XLogP0.90
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110702148
N-[1-(2-amino-1,3-oxazole-5-carbonyl)-3-fluoropiperidin-4-yl]-3-(dimethylamino)cyclobutane-1-carboxamide
CID 167802615
(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 129477840
2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 110835464
[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 70774249
1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146444579
[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 119060084
1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436223
[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 166253150
[(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone
CID 155880301
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]propan-1-one
CID 77144319
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(6-iodo-3-pyridinyl)methanone
CID 134405988

Frequently Asked Questions

What is the IUPAC name of [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone (CID 166306248) is [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone is Cc1ncc(C(=O)N2CC(N(C)C3CC3)C2)o1.
What is the InChIKey of [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is IIZOHFYDTWBXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-13-5-11(17-8)12(16)15-6-10(7-15)14(2)9-3-4-9/h5,9-10H,3-4,6-7H2,1-2H3.
What are the key properties of [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone?
[3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 166306248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).