N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide

C19H20FN3O4 — CID 51128831

IUPACN-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)CCn1c(=O)oc2ccc(NC(=O)COc3ccc(F)cc3)cc21
InChIInChI=1S/C19H20FN3O4/c1-22(2)9-10-23-16-11-14(5-8-17(16)27-19(23)25)21-18(24)12-26-15-6-3-13(20)4-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyAEFBADZJZOPKLM-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.31
Rot. Bonds7

About N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide

N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide (PubChem CID 51128831) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide
PubChem CID51128831
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)CCn1c(=O)oc2ccc(NC(=O)COc3ccc(F)cc3)cc21
InChIInChI=1S/C19H20FN3O4/c1-22(2)9-10-23-16-11-14(5-8-17(16)27-19(23)25)21-18(24)12-26-15-6-3-13(20)4-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyAEFBADZJZOPKLM-UHFFFAOYSA-N
XLogP2.31
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119869141
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432562
2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662032
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 167762954
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-4-fluoronaphthalene-1-carboxamide
CID 167894387
2-(4-methylphenoxy)-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)acetamide
CID 50796641
1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea
CID 51099669
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119869173
(2S,4S)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-methylpiperidine-4-carboxamide
CID 120634766
4-(2,2-difluoroethyl)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]morpholine-3-carboxamide
CID 126769612
2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide
CID 120596188
4-(aminomethyl)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]oxane-4-carboxamide;dihydrochloride
CID 120940470

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide (CID 51128831) is N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide is CN(C)CCn1c(=O)oc2ccc(NC(=O)COc3ccc(F)cc3)cc21.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is AEFBADZJZOPKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-22(2)9-10-23-16-11-14(5-8-17(16)27-19(23)25)21-18(24)12-26-15-6-3-13(20)4-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide?
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 373.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 51128831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).