N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

C12H8ClN3O3S — CID 99838504

IUPACN-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(-c3ccc(Cl)s3)on2)on1
InChIInChI=1S/C12H8ClN3O3S/c1-6-4-8(19-15-6)12(17)14-11-5-7(18-16-11)9-2-3-10(13)20-9/h2-5H,1H3,(H,14,16,17)
InChIKeyYLCAQCWBQKBJSG-UHFFFAOYSA-N
MW309.73 g/mol
LogP3.61
Rot. Bonds3

About N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 99838504) has the molecular formula C12H8ClN3O3S and a molecular weight of 309.73 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID99838504
Molecular FormulaC12H8ClN3O3S
Molecular Weight309.73 g/mol
Exact Mass309.00
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(-c3ccc(Cl)s3)on2)on1
InChIInChI=1S/C12H8ClN3O3S/c1-6-4-8(19-15-6)12(17)14-11-5-7(18-16-11)9-2-3-10(13)20-9/h2-5H,1H3,(H,14,16,17)
InChIKeyYLCAQCWBQKBJSG-UHFFFAOYSA-N
XLogP3.61
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 99838504) is N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)s3)on2)on1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is YLCAQCWBQKBJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3S/c1-6-4-8(19-15-6)12(17)14-11-5-7(18-16-11)9-2-3-10(13)20-9/h2-5H,1H3,(H,14,16,17).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 309.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 99838504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).