3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

C14H17F3N2O2 — CID 137355875

IUPAC3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCc1ncc([C@@H]2CCON2C(=O)C(C)(C)C(F)F)cc1F
InChIInChI=1S/C14H17F3N2O2/c1-8-10(15)6-9(7-18-8)11-4-5-21-19(11)13(20)14(2,3)12(16)17/h6-7,11-12H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyIJDNMEWZRDZWDV-NSHDSACASA-N
MW302.30 g/mol
LogP3.03
Rot. Bonds3

About 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 137355875) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID137355875
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCc1ncc([C@@H]2CCON2C(=O)C(C)(C)C(F)F)cc1F
InChIInChI=1S/C14H17F3N2O2/c1-8-10(15)6-9(7-18-8)11-4-5-21-19(11)13(20)14(2,3)12(16)17/h6-7,11-12H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyIJDNMEWZRDZWDV-NSHDSACASA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one 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

(4S)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]oxathiazolidine-3-carboxylic acid
CID 91041710
tert-butyl (4S)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]oxathiazolidine-3-carboxylate
CID 91361421
(3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid
CID 129188674
5-[(3S)-2-(3,3-difluoro-2,2-dimethylbutanoyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 129188677
2-cyclopropyl-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188678
tert-butyl N-[(1S)-1-[6-(difluoromethyl)pyridin-3-yl]-3-hydroxypropyl]-N-hydroxycarbamate
CID 129188683
(3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylic acid
CID 129188695
(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188702
2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188704
(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine
CID 129188710
3,3-Difluoro-2,2-dimethyl-1-[3-(6-methylpyridin-3-yl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188717
[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone
CID 129188718

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (CID 137355875) is 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is Cc1ncc([C@@H]2CCON2C(=O)C(C)(C)C(F)F)cc1F.
What is the InChIKey of 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is IJDNMEWZRDZWDV-NSHDSACASA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-10(15)6-9(7-18-8)11-4-5-21-19(11)13(20)14(2,3)12(16)17/h6-7,11-12H,4-5H2,1-3H3/t11-/m0/s1.
What are the key properties of 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 302.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 137355875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).