N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide

C24H29N3O3 — CID 1257610

IUPACN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cccc(-c2noc(CN(C(=O)COc3ccc(C(C)C)cc3)C(C)C)n2)c1
InChIInChI=1S/C24H29N3O3/c1-16(2)19-9-11-21(12-10-19)29-15-23(28)27(17(3)4)14-22-25-24(26-30-22)20-8-6-7-18(5)13-20/h6-13,16-17H,14-15H2,1-5H3
InChIKeyYSXYYYDBXBNILO-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.98
Rot. Bonds8

About N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide

N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 1257610) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID1257610
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cccc(-c2noc(CN(C(=O)COc3ccc(C(C)C)cc3)C(C)C)n2)c1
InChIInChI=1S/C24H29N3O3/c1-16(2)19-9-11-21(12-10-19)29-15-23(28)27(17(3)4)14-22-25-24(26-30-22)20-8-6-7-18(5)13-20/h6-13,16-17H,14-15H2,1-5H3
InChIKeyYSXYYYDBXBNILO-UHFFFAOYSA-N
XLogP4.98
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide (CID 1257610) is N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide is Cc1cccc(-c2noc(CN(C(=O)COc3ccc(C(C)C)cc3)C(C)C)n2)c1.
What is the InChIKey of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is YSXYYYDBXBNILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16(2)19-9-11-21(12-10-19)29-15-23(28)27(17(3)4)14-22-25-24(26-30-22)20-8-6-7-18(5)13-20/h6-13,16-17H,14-15H2,1-5H3.
What are the key properties of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide?
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1257610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).