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

C23H25FN2O3 — CID 36807682

IUPACN-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCCCOCCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C23H25FN2O3/c1-2-3-14-28-15-8-13-25-22(27)17-9-4-5-10-18(17)23-26-16-21(29-23)19-11-6-7-12-20(19)24/h4-7,9-12,16H,2-3,8,13-15H2,1H3,(H,25,27)
InChIKeyZPUDKUYCXFKWDJ-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.08
Rot. Bonds10

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

N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 36807682) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID36807682
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC NameN-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCCCOCCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C23H25FN2O3/c1-2-3-14-28-15-8-13-25-22(27)17-9-4-5-10-18(17)23-26-16-21(29-23)19-11-6-7-12-20(19)24/h4-7,9-12,16H,2-3,8,13-15H2,1H3,(H,25,27)
InChIKeyZPUDKUYCXFKWDJ-UHFFFAOYSA-N
XLogP5.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 36656774
methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate
CID 36654951
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 36744321
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36704068
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide
CID 119461006
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556102
N-(2-fluoro-4-methylphenyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 55554036
3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide
CID 35351495

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (CID 36807682) is N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is CCCCOCCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1.
What is the InChIKey of N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is ZPUDKUYCXFKWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-2-3-14-28-15-8-13-25-22(27)17-9-4-5-10-18(17)23-26-16-21(29-23)19-11-6-7-12-20(19)24/h4-7,9-12,16H,2-3,8,13-15H2,1H3,(H,25,27).
What are the key properties of N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 396.46 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 36807682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).