N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide

C16H13FN2O2 — CID 110711789

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCCc1nc2ccccc2o1)c1cccc(F)c1
InChIInChI=1S/C16H13FN2O2/c17-12-5-3-4-11(10-12)16(20)18-9-8-15-19-13-6-1-2-7-14(13)21-15/h1-7,10H,8-9H2,(H,18,20)
InChIKeyWFOGZTGYLGYIKC-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide

N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide (PubChem CID 110711789) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
PubChem CID110711789
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCCc1nc2ccccc2o1)c1cccc(F)c1
InChIInChI=1S/C16H13FN2O2/c17-12-5-3-4-11(10-12)16(20)18-9-8-15-19-13-6-1-2-7-14(13)21-15/h1-7,10H,8-9H2,(H,18,20)
InChIKeyWFOGZTGYLGYIKC-UHFFFAOYSA-N
XLogP2.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide
CID 110711791
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110475867
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110711850
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323620
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70780672
N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089407
3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671393
N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 71724918

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide (CID 110711789) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide is O=C(NCCc1nc2ccccc2o1)c1cccc(F)c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide?
The InChIKey is WFOGZTGYLGYIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-5-3-4-11(10-12)16(20)18-9-8-15-19-13-6-1-2-7-14(13)21-15/h1-7,10H,8-9H2,(H,18,20).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 110711789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).