4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one

C9H14N2O2 — CID 83857125

IUPAC4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one
SMILESCC1C(=O)ON=C1CC1CCCN1
InChIInChI=1S/C9H14N2O2/c1-6-8(11-13-9(6)12)5-7-3-2-4-10-7/h6-7,10H,2-5H2,1H3
InChIKeySVKDXFISKYWLJL-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.68
Rot. Bonds2

About 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one

4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one (PubChem CID 83857125) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one
PubChem CID83857125
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one
SMILESCC1C(=O)ON=C1CC1CCCN1
InChIInChI=1S/C9H14N2O2/c1-6-8(11-13-9(6)12)5-7-3-2-4-10-7/h6-7,10H,2-5H2,1H3
InChIKeySVKDXFISKYWLJL-UHFFFAOYSA-N
XLogP0.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83867973
4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one
CID 83856954
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate
CID 105463941
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442
3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 82595027
5-(pyrrolidin-2-ylmethyl)-2H-tetrazole
CID 53421238
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one
CID 83857342
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
2-cyclobutyl-5-(pyrrolidin-2-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999578

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one?
The IUPAC name of 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one (CID 83857125) is 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one is CC1C(=O)ON=C1CC1CCCN1.
What is the InChIKey of 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one?
The InChIKey is SVKDXFISKYWLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-8(11-13-9(6)12)5-7-3-2-4-10-7/h6-7,10H,2-5H2,1H3.
What are the key properties of 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one?
4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one has a molecular weight of 182.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 83857125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).