N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide

C18H22FN3O3 — CID 155877431

IUPACN-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)Cc1noc2c1CC(NC(=O)COc1ccc(F)cc1)CC2
InChIInChI=1S/C18H22FN3O3/c1-22(2)10-16-15-9-13(5-8-17(15)25-21-16)20-18(23)11-24-14-6-3-12(19)4-7-14/h3-4,6-7,13H,5,8-11H2,1-2H3,(H,20,23)
InChIKeyGWBATEHTYHJJSX-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.93
Rot. Bonds6

About N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide

N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide (PubChem CID 155877431) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide
PubChem CID155877431
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)Cc1noc2c1CC(NC(=O)COc1ccc(F)cc1)CC2
InChIInChI=1S/C18H22FN3O3/c1-22(2)10-16-15-9-13(5-8-17(15)25-21-16)20-18(23)11-24-14-6-3-12(19)4-7-14/h3-4,6-7,13H,5,8-11H2,1-2H3,(H,20,23)
InChIKeyGWBATEHTYHJJSX-UHFFFAOYSA-N
XLogP1.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide with MolForge

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Related Compounds

N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-3-methoxypropanamide
CID 155876750
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 6601805
2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
2-[(3S)-6-fluoro-3-[[2-(4-methylphenoxy)acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67205261
2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128969807

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide (CID 155877431) is N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide is CN(C)Cc1noc2c1CC(NC(=O)COc1ccc(F)cc1)CC2.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is GWBATEHTYHJJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-22(2)10-16-15-9-13(5-8-17(15)25-21-16)20-18(23)11-24-14-6-3-12(19)4-7-14/h3-4,6-7,13H,5,8-11H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide?
N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 347.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 155877431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).