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

C20H21FN4O2 — CID 50971650

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)C(c1cccc(F)c1)N(C)C
InChIInChI=1S/C20H21FN4O2/c1-24(2)19(14-6-4-8-16(21)10-14)20(26)25(3)13-17-11-18(23-27-17)15-7-5-9-22-12-15/h4-12,19H,13H2,1-3H3
InChIKeyWDAGXGIVUXNARY-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.14
Rot. Bonds6

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

2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 50971650) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID50971650
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)C(c1cccc(F)c1)N(C)C
InChIInChI=1S/C20H21FN4O2/c1-24(2)19(14-6-4-8-16(21)10-14)20(26)25(3)13-17-11-18(23-27-17)15-7-5-9-22-12-15/h4-12,19H,13H2,1-3H3
InChIKeyWDAGXGIVUXNARY-UHFFFAOYSA-N
XLogP3.14
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 50971650) is 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide is CN(Cc1cc(-c2cccnc2)no1)C(=O)C(c1cccc(F)c1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is WDAGXGIVUXNARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-24(2)19(14-6-4-8-16(21)10-14)20(26)25(3)13-17-11-18(23-27-17)15-7-5-9-22-12-15/h4-12,19H,13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 368.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 50971650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).