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

C21H21FN2O2 — CID 36744321

IUPAC2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H21FN2O2/c1-14(2)11-12-23-20(25)15-7-3-4-8-16(15)21-24-13-19(26-21)17-9-5-6-10-18(17)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)
InChIKeyPVYXCWAFDLBURE-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.92
Rot. Bonds6

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

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide (PubChem CID 36744321) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
PubChem CID36744321
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H21FN2O2/c1-14(2)11-12-23-20(25)15-7-3-4-8-16(15)21-24-13-19(26-21)17-9-5-6-10-18(17)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)
InChIKeyPVYXCWAFDLBURE-UHFFFAOYSA-N
XLogP4.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 36656774
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate
CID 36654951
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36704068
N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36807682
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N'-(2-hydroxybenzoyl)benzohydrazide
CID 36762830
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683287
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
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
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide
CID 119461006

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide (CID 36744321) is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide?
The InChIKey is PVYXCWAFDLBURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-14(2)11-12-23-20(25)15-7-3-4-8-16(15)21-24-13-19(26-21)17-9-5-6-10-18(17)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide?
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide has a molecular weight of 352.41 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 36744321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).