(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

C13H20N2O3 — CID 115775260

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC(CCO)C1
InChIInChI=1S/C13H20N2O3/c1-3-11-12(9(2)18-14-11)13(17)15-6-4-10(8-15)5-7-16/h10,16H,3-8H2,1-2H3
InChIKeyOIXWLOTWCGCKNK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.39
Rot. Bonds4

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 115775260) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID115775260
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC(CCO)C1
InChIInChI=1S/C13H20N2O3/c1-3-11-12(9(2)18-14-11)13(17)15-6-4-10(8-15)5-7-16/h10,16H,3-8H2,1-2H3
InChIKeyOIXWLOTWCGCKNK-UHFFFAOYSA-N
XLogP1.39
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416021
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75513671
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633386
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
(4aS,8aR)-6-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-1-(3-hydroxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56911310
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758964
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70765790
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 115775106
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124978958
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124987262
[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 33363652

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 115775260) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCC(CCO)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OIXWLOTWCGCKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-11-12(9(2)18-14-11)13(17)15-6-4-10(8-15)5-7-16/h10,16H,3-8H2,1-2H3.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 252.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115775260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).