4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C19H21N3O4S — CID 162506154

IUPAC4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(CC(C)(C)O)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C19H21N3O4S/c1-19(2,24)10-12-6-7-13(14(9-12)25-3)17(23)20-11-16-21-22-18(26-16)15-5-4-8-27-15/h4-9,24H,10-11H2,1-3H3,(H,20,23)
InChIKeyHZZNAGGLMCLARF-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.05
Rot. Bonds7

About 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 162506154) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID162506154
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(CC(C)(C)O)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C19H21N3O4S/c1-19(2,24)10-12-6-7-13(14(9-12)25-3)17(23)20-11-16-21-22-18(26-16)15-5-4-8-27-15/h4-9,24H,10-11H2,1-3H3,(H,20,23)
InChIKeyHZZNAGGLMCLARF-UHFFFAOYSA-N
XLogP3.05
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 162506154) is 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COc1cc(CC(C)(C)O)ccc1C(=O)NCc1nnc(-c2cccs2)o1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is HZZNAGGLMCLARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-19(2,24)10-12-6-7-13(14(9-12)25-3)17(23)20-11-16-21-22-18(26-16)15-5-4-8-27-15/h4-9,24H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 162506154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).