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

C11H16N2O3 — CID 112627373

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C11H16N2O3/c1-7-10(16-6-12-7)11(15)13-4-3-9(5-13)8(2)14/h6,8-9,14H,3-5H2,1-2H3
InChIKeyOCRHJLUHBMGTHD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.83
Rot. Bonds2

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

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 112627373) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID112627373
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C11H16N2O3/c1-7-10(16-6-12-7)11(15)13-4-3-9(5-13)8(2)14/h6,8-9,14H,3-5H2,1-2H3
InChIKeyOCRHJLUHBMGTHD-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119518888
[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119594797
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 81478651
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 112627391
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255
[(5aS,9aR)-1-methylsulfonyl-3,4,5,5a,6,8,9,9a-octahydro-2H-pyrido[4,3-b]azepin-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110143103
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
(4-chloro-6-methyl-3-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624918
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115966039
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
CID 115966148
(6-chloro-2-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624904

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 112627373) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCC(C(C)O)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is OCRHJLUHBMGTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-10(16-6-12-7)11(15)13-4-3-9(5-13)8(2)14/h6,8-9,14H,3-5H2,1-2H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 112627373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).