N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide

C16H13FN2O2 — CID 110707351

IUPACN-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCCc1ccc2ocnc2c1)c1cccc(F)c1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-2-12(9-13)16(20)18-7-6-11-4-5-15-14(8-11)19-10-21-15/h1-5,8-10H,6-7H2,(H,18,20)
InChIKeyJPRWMBORLNFYOU-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide

N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide (PubChem CID 110707351) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
PubChem CID110707351
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCCc1ccc2ocnc2c1)c1cccc(F)c1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-2-12(9-13)16(20)18-7-6-11-4-5-15-14(8-11)19-10-21-15/h1-5,8-10H,6-7H2,(H,18,20)
InChIKeyJPRWMBORLNFYOU-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]-3-chlorobenzamide
CID 110707375
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110707405
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 110796046
N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765045
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 110707409

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide (CID 110707351) is N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide is O=C(NCCc1ccc2ocnc2c1)c1cccc(F)c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide?
The InChIKey is JPRWMBORLNFYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-3-1-2-12(9-13)16(20)18-7-6-11-4-5-15-14(8-11)19-10-21-15/h1-5,8-10H,6-7H2,(H,18,20).
What are the key properties of N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide?
N-[2-(1,3-benzoxazol-5-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-5-yl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 110707351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).