(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C12H16N2O3 — CID 113250457

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C12H16N2O3/c1-12(16)4-5-14(7-12)11(15)9-6-10(17-13-9)8-2-3-8/h6,8,16H,2-5,7H2,1H3
InChIKeyAKTJTSJPJPOTKM-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.15
Rot. Bonds2

About (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 113250457) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID113250457
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(C3CC3)on2)C1
InChIInChI=1S/C12H16N2O3/c1-12(16)4-5-14(7-12)11(15)9-6-10(17-13-9)8-2-3-8/h6,8,16H,2-5,7H2,1H3
InChIKeyAKTJTSJPJPOTKM-UHFFFAOYSA-N
XLogP1.15
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid
CID 154735717
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258478
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131688336
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 103726970
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
CID 95800988
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131687867
2-(cyclopropylmethyl)-8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686898

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 113250457) is (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cc(C3CC3)on2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is AKTJTSJPJPOTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(16)4-5-14(7-12)11(15)9-6-10(17-13-9)8-2-3-8/h6,8,16H,2-5,7H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113250457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).