N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide

C14H16N2O3S — CID 11335323

IUPACN-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(SCc2cc(C(=O)NO)no2)c(C)c1
InChIInChI=1S/C14H16N2O3S/c1-8-4-9(2)13(10(3)5-8)20-7-11-6-12(16-19-11)14(17)15-18/h4-6,18H,7H2,1-3H3,(H,15,17)
InChIKeyFLCBXQHODWAFKS-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.01
Rot. Bonds4

About N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide

N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 11335323) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide
PubChem CID11335323
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(SCc2cc(C(=O)NO)no2)c(C)c1
InChIInChI=1S/C14H16N2O3S/c1-8-4-9(2)13(10(3)5-8)20-7-11-6-12(16-19-11)14(17)15-18/h4-6,18H,7H2,1-3H3,(H,15,17)
InChIKeyFLCBXQHODWAFKS-UHFFFAOYSA-N
XLogP3.01
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide (CID 11335323) is N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C)c(SCc2cc(C(=O)NO)no2)c(C)c1.
What is the InChIKey of N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FLCBXQHODWAFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-4-9(2)13(10(3)5-8)20-7-11-6-12(16-19-11)14(17)15-18/h4-6,18H,7H2,1-3H3,(H,15,17).
What are the key properties of N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11335323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).