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

C24H29N3O3 — CID 71664038

IUPACN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1
InChIInChI=1S/C24H29N3O3/c1-5-6-19-9-13-21(14-10-19)29-16-23(28)27(17(2)3)15-22-25-24(26-30-22)20-11-7-18(4)8-12-20/h7-14,17H,5-6,15-16H2,1-4H3
InChIKeyMYSOXKBFOIIOQD-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.81
Rot. Bonds9

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

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide (PubChem CID 71664038) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
PubChem CID71664038
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1
InChIInChI=1S/C24H29N3O3/c1-5-6-19-9-13-21(14-10-19)29-16-23(28)27(17(2)3)15-22-25-24(26-30-22)20-11-7-18(4)8-12-20/h7-14,17H,5-6,15-16H2,1-4H3
InChIKeyMYSOXKBFOIIOQD-UHFFFAOYSA-N
XLogP4.81
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-2-(4-propylphenoxy)-N-((3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 56945245
2-(2-bromo-4-ethylphenoxy)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
CID 16013313
2-(3-Methoxy-phenoxy)-N-methyl-N-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-acetamide
CID 6473367
1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 16189001
N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
N-Isopropyl-2-phenoxy-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 2987737
2-(4-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 2991054
2-(4-Ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-YL)methyl]-N-(propan-2-YL)acetamide
CID 2992442
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 16475480
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide
CID 16483731
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
2-(4-Butylphenoxy)-N-(1-methylethyl)-N-[[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 66551334

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide (CID 71664038) is N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1.
What is the InChIKey of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
The InChIKey is MYSOXKBFOIIOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-6-19-9-13-21(14-10-19)29-16-23(28)27(17(2)3)15-22-25-24(26-30-22)20-11-7-18(4)8-12-20/h7-14,17H,5-6,15-16H2,1-4H3.
What are the key properties of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide?
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 71664038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).