3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide

C18H19N3O3 — CID 91946158

IUPAC3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C)(C(=O)Nc2cc(C)ccn2)C1
InChIInChI=1S/C18H19N3O3/c1-12-8-9-19-16(10-12)20-17(22)18(2)11-14(21-24-18)13-6-4-5-7-15(13)23-3/h4-10H,11H2,1-3H3,(H,19,20,22)
InChIKeyDSBPHHNHYHVJMS-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.92
Rot. Bonds4

About 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide

3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 91946158) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID91946158
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C)(C(=O)Nc2cc(C)ccn2)C1
InChIInChI=1S/C18H19N3O3/c1-12-8-9-19-16(10-12)20-17(22)18(2)11-14(21-24-18)13-6-4-5-7-15(13)23-3/h4-10H,11H2,1-3H3,(H,19,20,22)
InChIKeyDSBPHHNHYHVJMS-UHFFFAOYSA-N
XLogP2.92
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide (CID 91946158) is 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NOC(C)(C(=O)Nc2cc(C)ccn2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is DSBPHHNHYHVJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-8-9-19-16(10-12)20-17(22)18(2)11-14(21-24-18)13-6-4-5-7-15(13)23-3/h4-10H,11H2,1-3H3,(H,19,20,22).
What are the key properties of 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91946158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).