[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone

C11H14F2N2O3 — CID 138036942

IUPAC[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(O)(C(F)F)C2)c(C)o1
InChIInChI=1S/C11H14F2N2O3/c1-6-8(14-7(2)18-6)9(16)15-4-3-11(17,5-15)10(12)13/h10,17H,3-5H2,1-2H3
InChIKeyFWBXQQPCNFRZBR-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.13
Rot. Bonds2

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

[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (PubChem CID 138036942) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
PubChem CID138036942
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(O)(C(F)F)C2)c(C)o1
InChIInChI=1S/C11H14F2N2O3/c1-6-8(14-7(2)18-6)9(16)15-4-3-11(17,5-15)10(12)13/h10,17H,3-5H2,1-2H3
InChIKeyFWBXQQPCNFRZBR-UHFFFAOYSA-N
XLogP1.13
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195165
N-ethyl-2,5-dimethyl-N-(2-methylallyl)-1,3-oxazole-4-carboxamide
CID 53195125
N-butyl-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53195169
N,2,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 53195179
(2-Isopropyl-5-methyl-1,3-oxazol-4-yl)(morpholino)methanone
CID 53195248
Methyl 2-[[2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]acetate
CID 3408517
2-{[(2,2-dimethylpropanoyl)amino]methyl}-N~4~,N~4~-diethyl-5-methyl-1,3-oxazole-4-carboxamide
CID 53195614
(2,5-dimethyl-1,3-oxazol-4-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126767164
tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate
CID 126818833
(2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 136582247
(5-Methyl-2-propan-2-yl-1,3-oxazol-4-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 137991861
2-Methyl-5-trifluoromethyl-oxazole-4-carboxylic acid methoxy-methyl-amide
CID 58082769

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (CID 138036942) is [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCC(O)(C(F)F)C2)c(C)o1.
What is the InChIKey of [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The InChIKey is FWBXQQPCNFRZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-6-8(14-7(2)18-6)9(16)15-4-3-11(17,5-15)10(12)13/h10,17H,3-5H2,1-2H3.
What are the key properties of [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone has a molecular weight of 260.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 138036942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).