4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide

C18H23N3O3 — CID 111912093

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C18H23N3O3/c1-4-21(11-18(2,3)23)17(22)14-9-7-13(8-10-14)16-19-15(20-24-16)12-5-6-12/h7-10,12,23H,4-6,11H2,1-3H3
InChIKeyWHPURRFZFYCVAR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.85
Rot. Bonds6

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 111912093) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID111912093
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C18H23N3O3/c1-4-21(11-18(2,3)23)17(22)14-9-7-13(8-10-14)16-19-15(20-24-16)12-5-6-12/h7-10,12,23H,4-6,11H2,1-3H3
InChIKeyWHPURRFZFYCVAR-UHFFFAOYSA-N
XLogP2.85
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide (CID 111912093) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(C)O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is WHPURRFZFYCVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-21(11-18(2,3)23)17(22)14-9-7-13(8-10-14)16-19-15(20-24-16)12-5-6-12/h7-10,12,23H,4-6,11H2,1-3H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 111912093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).