5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

C20H21N3O4 — CID 46097194

IUPAC5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2onc(C)c2C(=O)NCCc2ccc(OC)nc2)cc1
InChIInChI=1S/C20H21N3O4/c1-13-18(19(27-23-13)15-5-7-16(25-2)8-6-15)20(24)21-11-10-14-4-9-17(26-3)22-12-14/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyRQCHSCHIZCSVOI-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.03
Rot. Bonds7

About 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46097194) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46097194
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2onc(C)c2C(=O)NCCc2ccc(OC)nc2)cc1
InChIInChI=1S/C20H21N3O4/c1-13-18(19(27-23-13)15-5-7-16(25-2)8-6-15)20(24)21-11-10-14-4-9-17(26-3)22-12-14/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyRQCHSCHIZCSVOI-UHFFFAOYSA-N
XLogP3.03
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 46097194) is 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is COc1ccc(-c2onc(C)c2C(=O)NCCc2ccc(OC)nc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RQCHSCHIZCSVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-18(19(27-23-13)15-5-7-16(25-2)8-6-15)20(24)21-11-10-14-4-9-17(26-3)22-12-14/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).