2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

C14H19N3O2 — CID 116676632

IUPAC2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC1c1cc(C)no1)=C1CNC1
InChIInChI=1S/C14H19N3O2/c1-9-6-13(19-16-9)12-4-3-5-17(12)14(18)10(2)11-7-15-8-11/h6,12,15H,3-5,7-8H2,1-2H3
InChIKeyRVALSOUGUIZIDC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.57
Rot. Bonds2

About 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 116676632) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID116676632
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC1c1cc(C)no1)=C1CNC1
InChIInChI=1S/C14H19N3O2/c1-9-6-13(19-16-9)12-4-3-5-17(12)14(18)10(2)11-7-15-8-11/h6,12,15H,3-5,7-8H2,1-2H3
InChIKeyRVALSOUGUIZIDC-UHFFFAOYSA-N
XLogP1.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76992612
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 127322889
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 103775189
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
(2R)-2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119112336
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
2-(cyclopentylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963976
2-(cyclopropylmethylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 54873423
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739463
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 127620950

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 116676632) is 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one is CC(C(=O)N1CCCC1c1cc(C)no1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is RVALSOUGUIZIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-6-13(19-16-9)12-4-3-5-17(12)14(18)10(2)11-7-15-8-11/h6,12,15H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one?
2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 261.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 116676632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).