1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one

C11H16N2O3 — CID 79237901

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESCc1noc(C)c1C(C)N1CC(O)CC1=O
InChIInChI=1S/C11H16N2O3/c1-6-11(8(3)16-12-6)7(2)13-5-9(14)4-10(13)15/h7,9,14H,4-5H2,1-3H3
InChIKeyVYQRMRXXDQOHKV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.95
Rot. Bonds2

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one (PubChem CID 79237901) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one
PubChem CID79237901
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESCc1noc(C)c1C(C)N1CC(O)CC1=O
InChIInChI=1S/C11H16N2O3/c1-6-11(8(3)16-12-6)7(2)13-5-9(14)4-10(13)15/h7,9,14H,4-5H2,1-3H3
InChIKeyVYQRMRXXDQOHKV-UHFFFAOYSA-N
XLogP0.95
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
(3,5-Dimethyl-4-isoxazolyl)(morpholino)methanone
CID 2741522
(3,5-Dimethyl-4-isoxazolyl)(1-pyrrolidinyl)methanone
CID 2798231
(3,5-Dimethyl-4-isoxazolyl)(2,6-dimethylmorpholino)methanone
CID 3751691
N~1~-[(3,5-Dimethyl-4-isoxazolyl)methyl]-3-methoxypropanamide
CID 71836731
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707196
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-ol
CID 56687172
1-((3,5-Dimethylisoxazol-4-yl)methyl)piperidin-4-ol
CID 56770206
2-[Cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]ethanol
CID 75461214
trans-1-[(3,5-Dimethylisoxazol-4-yl)carbonyl]-4-ethoxypyrrolidin-3-ol
CID 91763825
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95315735
(2S)-2-(cyclopropylmethoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide
CID 97314591

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one (CID 79237901) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one is Cc1noc(C)c1C(C)N1CC(O)CC1=O.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is VYQRMRXXDQOHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-11(8(3)16-12-6)7(2)13-5-9(14)4-10(13)15/h7,9,14H,4-5H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 79237901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).