(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C10H14N2O4 — CID 106671726

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H14N2O4/c1-5-9(6(2)16-11-5)10(15)12-3-7(13)8(14)4-12/h7-8,13-14H,3-4H2,1-2H3
InChIKeySNWAJFPGRWLJFL-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.53
Rot. Bonds1

About (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 106671726) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID106671726
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H14N2O4/c1-5-9(6(2)16-11-5)10(15)12-3-7(13)8(14)4-12/h7-8,13-14H,3-4H2,1-2H3
InChIKeySNWAJFPGRWLJFL-UHFFFAOYSA-N
XLogP-0.53
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
trans-1-[(3,5-Dimethylisoxazol-4-yl)carbonyl]-4-ethoxypyrrolidin-3-ol
CID 91763825
(3,5-Dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 99787196
(3,5-Dimethyl-1,2-oxazol-4-yl)-(oxazinan-2-yl)methanone
CID 99789753
[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124049995
N-((1-(2-hydroxyethoxy)cyclopentyl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 131703969
N-[rac-(3S,4R)-4-methoxytetrahydrofuran-3-yl]-3,5-dimethylisoxazole-4-carboxamide
CID 131927971
Cycliton
CID 17084
1-(3,5-Dimethyl-1,2-oxazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709785

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 106671726) is (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is SNWAJFPGRWLJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-9(6(2)16-11-5)10(15)12-3-7(13)8(14)4-12/h7-8,13-14H,3-4H2,1-2H3.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 226.23 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 106671726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).