N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide

C16H13FN2O2 — CID 4591992

IUPACN-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(C2=NCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-2-12(10-13)15(20)19-14-6-4-11(5-7-14)16-18-8-9-21-16/h1-7,10H,8-9H2,(H,19,20)
InChIKeyRNHUPLFEWIWAHC-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.85
Rot. Bonds3

About N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide

N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide (PubChem CID 4591992) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide
PubChem CID4591992
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(C2=NCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-2-12(10-13)15(20)19-14-6-4-11(5-7-14)16-18-8-9-21-16/h1-7,10H,8-9H2,(H,19,20)
InChIKeyRNHUPLFEWIWAHC-UHFFFAOYSA-N
XLogP2.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
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1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea
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3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
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3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
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3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide
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3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
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N-(4-cyanophenyl)-3-fluorobenzamide
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CID 6949966

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide (CID 4591992) is N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide is O=C(Nc1ccc(C2=NCCO2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide?
The InChIKey is RNHUPLFEWIWAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-3-1-2-12(10-13)15(20)19-14-6-4-11(5-7-14)16-18-8-9-21-16/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide?
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 4591992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).