2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide

C16H17N5O4S — CID 155555451

IUPAC2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide
SMILESCc1noc(C)c1-c1nc2sc3c(c2c(=O)[nH]1)CCN(CC(=O)NO)C3
InChIInChI=1S/C16H17N5O4S/c1-7-12(8(2)25-20-7)14-17-15(23)13-9-3-4-21(6-11(22)19-24)5-10(9)26-16(13)18-14/h24H,3-6H2,1-2H3,(H,19,22)(H,17,18,23)
InChIKeyAJKINJGEIQIPDJ-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.12
Rot. Bonds3

About 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide

2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide (PubChem CID 155555451) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide
PubChem CID155555451
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide
SMILESCc1noc(C)c1-c1nc2sc3c(c2c(=O)[nH]1)CCN(CC(=O)NO)C3
InChIInChI=1S/C16H17N5O4S/c1-7-12(8(2)25-20-7)14-17-15(23)13-9-3-4-21(6-11(22)19-24)5-10(9)26-16(13)18-14/h24H,3-6H2,1-2H3,(H,19,22)(H,17,18,23)
InChIKeyAJKINJGEIQIPDJ-UHFFFAOYSA-N
XLogP1.12
TPSA124.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide (CID 155555451) is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide is Cc1noc(C)c1-c1nc2sc3c(c2c(=O)[nH]1)CCN(CC(=O)NO)C3.
What is the InChIKey of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide?
The InChIKey is AJKINJGEIQIPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-7-12(8(2)25-20-7)14-17-15(23)13-9-3-4-21(6-11(22)19-24)5-10(9)26-16(13)18-14/h24H,3-6H2,1-2H3,(H,19,22)(H,17,18,23).
What are the key properties of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide?
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide has a molecular weight of 375.41 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-N-hydroxyacetamide is sourced from PubChem (CID 155555451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).