2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide

C21H21FN2O5 — CID 141216489

IUPAC2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide
SMILESCCOCCOc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1ccon1
InChIInChI=1S/C21H21FN2O5/c1-2-26-10-11-27-19-7-6-17(28-14-15-4-3-5-16(22)12-15)13-18(19)21(25)23-20-8-9-29-24-20/h3-9,12-13H,2,10-11,14H2,1H3,(H,23,24,25)
InChIKeyCOOOKQMTXCZQPK-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.06
Rot. Bonds10

About 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide

2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 141216489) has the molecular formula C21H21FN2O5 and a molecular weight of 400.41 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide
PubChem CID141216489
Molecular FormulaC21H21FN2O5
Molecular Weight400.41 g/mol
Exact Mass400.14
IUPAC Name2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide
SMILESCCOCCOc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1ccon1
InChIInChI=1S/C21H21FN2O5/c1-2-26-10-11-27-19-7-6-17(28-14-15-4-3-5-16(22)12-15)13-18(19)21(25)23-20-8-9-29-24-20/h3-9,12-13H,2,10-11,14H2,1H3,(H,23,24,25)
InChIKeyCOOOKQMTXCZQPK-UHFFFAOYSA-N
XLogP4.06
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide
CID 141216459
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 71556639
5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
CID 141216527
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
CID 72704750
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
5-[(3-fluorophenyl)methoxy]-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 141216458
5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 141216526
2-(2,4-difluorophenoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 17250313
N-[4-(2-ethoxyethoxy)phenyl]-2-phenylmethoxybenzamide
CID 17130628

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide (CID 141216489) is 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide is CCOCCOc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1ccon1.
What is the InChIKey of 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is COOOKQMTXCZQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5/c1-2-26-10-11-27-19-7-6-17(28-14-15-4-3-5-16(22)12-15)13-18(19)21(25)23-20-8-9-29-24-20/h3-9,12-13H,2,10-11,14H2,1H3,(H,23,24,25).
What are the key properties of 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide?
2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 400.41 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 141216489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).