3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide

C18H11FN2O2S — CID 177345301

IUPAC3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc(-c3ccsc3)ccc2o1)c1cccc(F)c1
InChIInChI=1S/C18H11FN2O2S/c19-14-3-1-2-12(8-14)17(22)21-18-20-15-9-11(4-5-16(15)23-18)13-6-7-24-10-13/h1-10H,(H,20,21,22)
InChIKeyZLWLBTHUPUIHHQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.95
Rot. Bonds3

About 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide

3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide (PubChem CID 177345301) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide
PubChem CID177345301
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC Name3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc(-c3ccsc3)ccc2o1)c1cccc(F)c1
InChIInChI=1S/C18H11FN2O2S/c19-14-3-1-2-12(8-14)17(22)21-18-20-15-9-11(4-5-16(15)23-18)13-6-7-24-10-13/h1-10H,(H,20,21,22)
InChIKeyZLWLBTHUPUIHHQ-UHFFFAOYSA-N
XLogP4.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide
CID 177345280
3-fluoro-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143326
3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide
CID 177345313
3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5234955
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
3-(3-fluorophenyl)-6-thiophen-3-ylquinoline
CID 18788569
3-(3-fluorophenyl)thiophene
CID 7010737
N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide
CID 70957878
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
CID 1363898
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 1497023

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide (CID 177345301) is 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide is O=C(Nc1nc2cc(-c3ccsc3)ccc2o1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide?
The InChIKey is ZLWLBTHUPUIHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-14-3-1-2-12(8-14)17(22)21-18-20-15-9-11(4-5-16(15)23-18)13-6-7-24-10-13/h1-10H,(H,20,21,22).
What are the key properties of 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide?
3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide has a molecular weight of 338.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide is sourced from PubChem (CID 177345301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).