3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide

C15H17N3O4 — CID 59127124

IUPAC3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
SMILESCn1ccc(NC(=O)c2cc(O)cc(O[C@@H]3CCOC3)c2)n1
InChIInChI=1S/C15H17N3O4/c1-18-4-2-14(17-18)16-15(20)10-6-11(19)8-13(7-10)22-12-3-5-21-9-12/h2,4,6-8,12,19H,3,5,9H2,1H3,(H,16,17,20)/t12-/m1/s1
InChIKeyZBOMGQXGVUGBTF-GFCCVEGCSA-N
MW303.32 g/mol
LogP1.55
Rot. Bonds4

About 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide

3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide (PubChem CID 59127124) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
PubChem CID59127124
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
SMILESCn1ccc(NC(=O)c2cc(O)cc(O[C@@H]3CCOC3)c2)n1
InChIInChI=1S/C15H17N3O4/c1-18-4-2-14(17-18)16-15(20)10-6-11(19)8-13(7-10)22-12-3-5-21-9-12/h2,4,6-8,12,19H,3,5,9H2,1H3,(H,16,17,20)/t12-/m1/s1
InChIKeyZBOMGQXGVUGBTF-GFCCVEGCSA-N
XLogP1.55
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide?
The IUPAC name of 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide (CID 59127124) is 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide.
What is the SMILES notation for 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide?
The canonical SMILES for 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide is Cn1ccc(NC(=O)c2cc(O)cc(O[C@@H]3CCOC3)c2)n1.
What is the InChIKey of 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide?
The InChIKey is ZBOMGQXGVUGBTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-18-4-2-14(17-18)16-15(20)10-6-11(19)8-13(7-10)22-12-3-5-21-9-12/h2,4,6-8,12,19H,3,5,9H2,1H3,(H,16,17,20)/t12-/m1/s1.
What are the key properties of 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide?
3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide has a molecular weight of 303.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide is sourced from PubChem (CID 59127124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).