5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide

C12H13ClN2O3S — CID 111433417

IUPAC5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
SMILESCC(O)CCNC(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C12H13ClN2O3S/c1-7(16)4-5-14-12(17)8-6-9(18-15-8)10-2-3-11(13)19-10/h2-3,6-7,16H,4-5H2,1H3,(H,14,17)
InChIKeyZMTIRDYTAXSHOV-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.56
Rot. Bonds5

About 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide (PubChem CID 111433417) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
PubChem CID111433417
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
SMILESCC(O)CCNC(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C12H13ClN2O3S/c1-7(16)4-5-14-12(17)8-6-9(18-15-8)10-2-3-11(13)19-10/h2-3,6-7,16H,4-5H2,1H3,(H,14,17)
InChIKeyZMTIRDYTAXSHOV-UHFFFAOYSA-N
XLogP2.56
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide (CID 111433417) is 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide is CC(O)CCNC(=O)c1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZMTIRDYTAXSHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-7(16)4-5-14-12(17)8-6-9(18-15-8)10-2-3-11(13)19-10/h2-3,6-7,16H,4-5H2,1H3,(H,14,17).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 300.77 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 111433417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).