[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate

C23H24ClN3O5 — CID 55356020

IUPAC[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCOc1ccccc1-c1noc(COC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H24ClN3O5/c1-14(2)12-18(25-22(28)15-8-10-16(24)11-9-15)23(29)31-13-20-26-21(27-32-20)17-6-4-5-7-19(17)30-3/h4-11,14,18H,12-13H2,1-3H3,(H,25,28)
InChIKeyVMUJLSQMKKITED-UHFFFAOYSA-N
MW457.91 g/mol
LogP4.29
Rot. Bonds9

About [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate

[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (PubChem CID 55356020) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
PubChem CID55356020
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCOc1ccccc1-c1noc(COC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H24ClN3O5/c1-14(2)12-18(25-22(28)15-8-10-16(24)11-9-15)23(29)31-13-20-26-21(27-32-20)17-6-4-5-7-19(17)30-3/h4-11,14,18H,12-13H2,1-3H3,(H,25,28)
InChIKeyVMUJLSQMKKITED-UHFFFAOYSA-N
XLogP4.29
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate with MolForge

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
CID 1299465
3-(4-((5-(4-Chlorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-2-isopropoxypropanoic acid
CID 44316521
3-(4-(2-(5-(4-Chlorophenyl)-1,2,4-oxadiazol-3-yl)ethoxy)phenyl)-2-isopropoxypropanoic acid
CID 44316628
{2-[3-(4-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-3-methoxy-phenyl}-pyrrolidin-1-yl-methanone
CID 44402675
N-cyclopentyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 44522161
5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 2991559
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methoxyphenoxy)propanamide
CID 2997162
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dimethoxy-N-(propan-2-yl)benzamide
CID 3164401
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 2990732
N-[1-(4-chlorophenyl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16598241
N-(2-aminoethyl)-4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzamide
CID 172450156
(2S)-1-[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 172450713

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (CID 55356020) is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.
What is the SMILES notation for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The canonical SMILES for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is COc1ccccc1-c1noc(COC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The InChIKey is VMUJLSQMKKITED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c1-14(2)12-18(25-22(28)15-8-10-16(24)11-9-15)23(29)31-13-20-26-21(27-32-20)17-6-4-5-7-19(17)30-3/h4-11,14,18H,12-13H2,1-3H3,(H,25,28).
What are the key properties of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate has a molecular weight of 457.91 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 55356020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).