5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide

C9H7ClN2O3 — CID 29494934

IUPAC5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)o2)no1
InChIInChI=1S/C9H7ClN2O3/c1-5-4-8(12-15-5)11-9(13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13)
InChIKeyLEPJZJQYHIFXLV-UHFFFAOYSA-N
MW226.62 g/mol
LogP2.48
Rot. Bonds2

About 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide

5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide (PubChem CID 29494934) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
PubChem CID29494934
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)o2)no1
InChIInChI=1S/C9H7ClN2O3/c1-5-4-8(12-15-5)11-9(13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13)
InChIKeyLEPJZJQYHIFXLV-UHFFFAOYSA-N
XLogP2.48
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide (CID 29494934) is 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)o2)no1.
What is the InChIKey of 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
The InChIKey is LEPJZJQYHIFXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c1-5-4-8(12-15-5)11-9(13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide has a molecular weight of 226.62 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 29494934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).