4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide

C23H27N3O3 — CID 166213376

IUPAC4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2nc(Cc3ccc(C(C)C)cc3)no2)cc1
InChIInChI=1S/C23H27N3O3/c1-15(2)18-7-5-17(6-8-18)13-21-25-22(29-26-21)14-24-23(27)19-9-11-20(12-10-19)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,24,27)
InChIKeyROVFBWZGKJZBFV-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.50
Rot. Bonds8

About 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide

4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 166213376) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID166213376
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2nc(Cc3ccc(C(C)C)cc3)no2)cc1
InChIInChI=1S/C23H27N3O3/c1-15(2)18-7-5-17(6-8-18)13-21-25-22(29-26-21)14-24-23(27)19-9-11-20(12-10-19)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,24,27)
InChIKeyROVFBWZGKJZBFV-UHFFFAOYSA-N
XLogP4.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 166213376) is 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is CC(C)Oc1ccc(C(=O)NCc2nc(Cc3ccc(C(C)C)cc3)no2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is ROVFBWZGKJZBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)18-7-5-17(6-8-18)13-21-25-22(29-26-21)14-24-23(27)19-9-11-20(12-10-19)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,24,27).
What are the key properties of 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 166213376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).