N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide

C13H11N3O4S — CID 44542054

IUPACN-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)NO)no3)ccc2s1
InChIInChI=1S/C13H11N3O4S/c1-7-14-10-4-8(2-3-12(10)21-7)19-6-9-5-11(16-20-9)13(17)15-18/h2-5,18H,6H2,1H3,(H,15,17)
InChIKeyMLOWSHIDXHTBGJ-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.29
Rot. Bonds4

About N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide

N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 44542054) has the molecular formula C13H11N3O4S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID44542054
Molecular FormulaC13H11N3O4S
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC NameN-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)NO)no3)ccc2s1
InChIInChI=1S/C13H11N3O4S/c1-7-14-10-4-8(2-3-12(10)21-7)19-6-9-5-11(16-20-9)13(17)15-18/h2-5,18H,6H2,1H3,(H,15,17)
InChIKeyMLOWSHIDXHTBGJ-UHFFFAOYSA-N
XLogP2.29
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 44542054) is N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide is Cc1nc2cc(OCc3cc(C(=O)NO)no3)ccc2s1.
What is the InChIKey of N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MLOWSHIDXHTBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c1-7-14-10-4-8(2-3-12(10)21-7)19-6-9-5-11(16-20-9)13(17)15-18/h2-5,18H,6H2,1H3,(H,15,17).
What are the key properties of N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 305.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44542054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).