N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide

C18H11FN2O2S — CID 880912

IUPACN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccs1
InChIInChI=1S/C18H11FN2O2S/c19-13-5-2-1-4-12(13)18-21-14-10-11(7-8-15(14)23-18)20-17(22)16-6-3-9-24-16/h1-10H,(H,20,22)
InChIKeyZHALIPXZTNAKHY-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.95
Rot. Bonds3

About N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide

N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide (PubChem CID 880912) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
PubChem CID880912
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccs1
InChIInChI=1S/C18H11FN2O2S/c19-13-5-2-1-4-12(13)18-21-14-10-11(7-8-15(14)23-18)20-17(22)16-6-3-9-24-16/h1-10H,(H,20,22)
InChIKeyZHALIPXZTNAKHY-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide (CID 880912) is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide is O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccs1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The InChIKey is ZHALIPXZTNAKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-13-5-2-1-4-12(13)18-21-14-10-11(7-8-15(14)23-18)20-17(22)16-6-3-9-24-16/h1-10H,(H,20,22).
What are the key properties of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide 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 N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 880912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).