1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one

C12H18N2O3 — CID 123310755

IUPAC1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one
SMILESCc1onc(OCC(C)N2CCCC2=O)c1C
InChIInChI=1S/C12H18N2O3/c1-8(14-6-4-5-11(14)15)7-16-12-9(2)10(3)17-13-12/h8H,4-7H2,1-3H3
InChIKeyDWXRQQVFZFIXKK-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.68
Rot. Bonds4

About 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one

1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one (PubChem CID 123310755) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one
PubChem CID123310755
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one
SMILESCc1onc(OCC(C)N2CCCC2=O)c1C
InChIInChI=1S/C12H18N2O3/c1-8(14-6-4-5-11(14)15)7-16-12-9(2)10(3)17-13-12/h8H,4-7H2,1-3H3
InChIKeyDWXRQQVFZFIXKK-UHFFFAOYSA-N
XLogP1.68
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one
CID 122646586
2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile
CID 54231010
ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
CID 22436158
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
1-[1-[[diethoxy(methyl)silyl]oxy-diethoxysilyl]ethyl]pyrrolidin-2-one
CID 19362096
1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one
CID 99838329
2,2-dimethylpropyl (3S)-3-(2-oxopiperidin-1-yl)butanoate
CID 99802681
2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate
CID 102564061
1-butan-2-ylazepan-2-one;1-butan-2-yl-2-methylidenepyrrolidine;1-butan-2-ylpiperidin-2-one
CID 158398209
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 167798996

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one (CID 123310755) is 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one is Cc1onc(OCC(C)N2CCCC2=O)c1C.
What is the InChIKey of 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one?
The InChIKey is DWXRQQVFZFIXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(14-6-4-5-11(14)15)7-16-12-9(2)10(3)17-13-12/h8H,4-7H2,1-3H3.
What are the key properties of 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one?
1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dimethyl-1,2-oxazol-3-yl)oxy]propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 123310755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).