3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide

C28H27N3O3 — CID 71289076

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3(c4cccc(-c5ccccc5)c4)CCOCC3)c2)no1
InChIInChI=1S/C28H27N3O3/c1-20-30-26(31-34-20)23-10-5-11-24(17-23)27(32)29-19-28(13-15-33-16-14-28)25-12-6-9-22(18-25)21-7-3-2-4-8-21/h2-12,17-18H,13-16,19H2,1H3,(H,29,32)
InChIKeyVIKYVBCTOZSZBB-UHFFFAOYSA-N
MW453.54 g/mol
LogP5.19
Rot. Bonds6

About 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 71289076) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide
PubChem CID71289076
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC3(c4cccc(-c5ccccc5)c4)CCOCC3)c2)no1
InChIInChI=1S/C28H27N3O3/c1-20-30-26(31-34-20)23-10-5-11-24(17-23)27(32)29-19-28(13-15-33-16-14-28)25-12-6-9-22(18-25)21-7-3-2-4-8-21/h2-12,17-18H,13-16,19H2,1H3,(H,29,32)
InChIKeyVIKYVBCTOZSZBB-UHFFFAOYSA-N
XLogP5.19
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide (CID 71289076) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide is Cc1nc(-c2cccc(C(=O)NCC3(c4cccc(-c5ccccc5)c4)CCOCC3)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is VIKYVBCTOZSZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-20-30-26(31-34-20)23-10-5-11-24(17-23)27(32)29-19-28(13-15-33-16-14-28)25-12-6-9-22(18-25)21-7-3-2-4-8-21/h2-12,17-18H,13-16,19H2,1H3,(H,29,32).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 453.54 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 71289076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).