(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide

C18H24FN3O2 — CID 97186769

IUPAC(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(C)Cc1cc(CNC(=O)[C@@H](c2ccccc2F)N(C)C)on1
InChIInChI=1S/C18H24FN3O2/c1-12(2)9-13-10-14(24-21-13)11-20-18(23)17(22(3)4)15-7-5-6-8-16(15)19/h5-8,10,12,17H,9,11H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyNWKNKTJRMSKLTA-QGZVFWFLSA-N
MW333.41 g/mol
LogP2.93
Rot. Bonds7

About (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide

(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 97186769) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID97186769
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(C)Cc1cc(CNC(=O)[C@@H](c2ccccc2F)N(C)C)on1
InChIInChI=1S/C18H24FN3O2/c1-12(2)9-13-10-14(24-21-13)11-20-18(23)17(22(3)4)15-7-5-6-8-16(15)19/h5-8,10,12,17H,9,11H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyNWKNKTJRMSKLTA-QGZVFWFLSA-N
XLogP2.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
2-(dimethylamino)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 72938087
(2S)-N-[(4-cyanophenyl)methyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 97129161
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644
2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91772485
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 97203656
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyridin-3-ylacetamide
CID 91770070
(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 95121897
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62984925

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 97186769) is (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide is CC(C)Cc1cc(CNC(=O)[C@@H](c2ccccc2F)N(C)C)on1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is NWKNKTJRMSKLTA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-12(2)9-13-10-14(24-21-13)11-20-18(23)17(22(3)4)15-7-5-6-8-16(15)19/h5-8,10,12,17H,9,11H2,1-4H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide?
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 97186769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).