N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide

C19H18ClN3O4 — CID 2997162

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C19H18ClN3O4/c1-12(26-16-9-7-15(25-2)8-10-16)19(24)21-11-17-22-18(23-27-17)13-3-5-14(20)6-4-13/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyQGXNJQUYYSBHCL-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.48
Rot. Bonds7

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 2997162) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID2997162
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C19H18ClN3O4/c1-12(26-16-9-7-15(25-2)8-10-16)19(24)21-11-17-22-18(23-27-17)13-3-5-14(20)6-4-13/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyQGXNJQUYYSBHCL-UHFFFAOYSA-N
XLogP3.48
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide (CID 2997162) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is QGXNJQUYYSBHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-12(26-16-9-7-15(25-2)8-10-16)19(24)21-11-17-22-18(23-27-17)13-3-5-14(20)6-4-13/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 387.82 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 2997162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).