N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide

C12H7ClN2O2S — CID 112528149

IUPACN-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClN2O2S/c13-10-6-5-9(18-10)11(16)15-12-14-7-3-1-2-4-8(7)17-12/h1-6H,(H,14,15,16)
InChIKeySVBWKUKOIDOBAR-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.80
Rot. Bonds2

About N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide

N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide (PubChem CID 112528149) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide
PubChem CID112528149
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC NameN-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClN2O2S/c13-10-6-5-9(18-10)11(16)15-12-14-7-3-1-2-4-8(7)17-12/h1-6H,(H,14,15,16)
InChIKeySVBWKUKOIDOBAR-UHFFFAOYSA-N
XLogP3.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide (CID 112528149) is N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide is O=C(Nc1nc2ccccc2o1)c1ccc(Cl)s1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide?
The InChIKey is SVBWKUKOIDOBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c13-10-6-5-9(18-10)11(16)15-12-14-7-3-1-2-4-8(7)17-12/h1-6H,(H,14,15,16).
What are the key properties of N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide?
N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide has a molecular weight of 278.72 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 112528149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).