(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

C17H21F2N3O2 — CID 97241827

IUPAC(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
SMILESCc1noc(C)c1[C@H](C)NC(=O)[C@H](c1c(F)cccc1F)N(C)C
InChIInChI=1S/C17H21F2N3O2/c1-9(14-10(2)21-24-11(14)3)20-17(23)16(22(4)5)15-12(18)7-6-8-13(15)19/h6-9,16H,1-5H3,(H,20,23)/t9-,16-/m0/s1
InChIKeyUYIQHSPCUYLJMU-FVMDXXJSSA-N
MW337.37 g/mol
LogP3.05
Rot. Bonds5

About (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide (PubChem CID 97241827) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
PubChem CID97241827
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
SMILESCc1noc(C)c1[C@H](C)NC(=O)[C@H](c1c(F)cccc1F)N(C)C
InChIInChI=1S/C17H21F2N3O2/c1-9(14-10(2)21-24-11(14)3)20-17(23)16(22(4)5)15-12(18)7-6-8-13(15)19/h6-9,16H,1-5H3,(H,20,23)/t9-,16-/m0/s1
InChIKeyUYIQHSPCUYLJMU-FVMDXXJSSA-N
XLogP3.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide 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

(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 97241824
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 86797727
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-fluorobenzoic acid
CID 79241609
1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 71970862
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 78961178
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea
CID 95904909
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-sulfanylbenzamide
CID 107032001
6-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-2-carboxamide
CID 79238480
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-iodobenzamide
CID 78961175

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
The IUPAC name of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide (CID 97241827) is (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
The canonical SMILES for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide is Cc1noc(C)c1[C@H](C)NC(=O)[C@H](c1c(F)cccc1F)N(C)C.
What is the InChIKey of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
The InChIKey is UYIQHSPCUYLJMU-FVMDXXJSSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-9(14-10(2)21-24-11(14)3)20-17(23)16(22(4)5)15-12(18)7-6-8-13(15)19/h6-9,16H,1-5H3,(H,20,23)/t9-,16-/m0/s1.
What are the key properties of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide has a molecular weight of 337.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 97241827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).