N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide

C16H13FN2O2 — CID 110765045

IUPACN-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc2ncoc2c1
InChIInChI=1S/C16H13FN2O2/c17-13-4-2-1-3-11(13)7-8-18-16(20)12-5-6-14-15(9-12)21-10-19-14/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyYBLNDUFAXMOKIA-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 110765045) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide
PubChem CID110765045
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc2ncoc2c1
InChIInChI=1S/C16H13FN2O2/c17-13-4-2-1-3-11(13)7-8-18-16(20)12-5-6-14-15(9-12)21-10-19-14/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyYBLNDUFAXMOKIA-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-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110707405
N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 55731090
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
N-[2-(2,5-difluorophenyl)ethyl]benzamide
CID 110788162
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 110796046
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide (CID 110765045) is N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide is O=C(NCCc1ccccc1F)c1ccc2ncoc2c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is YBLNDUFAXMOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-4-2-1-3-11(13)7-8-18-16(20)12-5-6-14-15(9-12)21-10-19-14/h1-6,9-10H,7-8H2,(H,18,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide 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-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).