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

C20H21N3O4 — CID 6472206

IUPAC2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H21N3O4/c1-14(26-17-11-9-16(25-3)10-12-17)20(24)23(2)13-18-21-19(22-27-18)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3
InChIKeyVNTYQUFMRKFLPQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.17
Rot. Bonds7

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

2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 6472206) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID6472206
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H21N3O4/c1-14(26-17-11-9-16(25-3)10-12-17)20(24)23(2)13-18-21-19(22-27-18)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3
InChIKeyVNTYQUFMRKFLPQ-UHFFFAOYSA-N
XLogP3.17
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 6472206) is 2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is COc1ccc(OC(C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is VNTYQUFMRKFLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(26-17-11-9-16(25-3)10-12-17)20(24)23(2)13-18-21-19(22-27-18)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 367.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 6472206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).