5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide

C20H22N4O3 — CID 24819202

IUPAC5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NC(C)Cc3cccc(C)n3)no2)cn1
InChIInChI=1S/C20H22N4O3/c1-13-7-8-17(11-21-13)26-12-18-10-19(24-27-18)20(25)23-15(3)9-16-6-4-5-14(2)22-16/h4-8,10-11,15H,9,12H2,1-3H3,(H,23,25)
InChIKeyQFHCJULFNFFSDD-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.02
Rot. Bonds7

About 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide

5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 24819202) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID24819202
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NC(C)Cc3cccc(C)n3)no2)cn1
InChIInChI=1S/C20H22N4O3/c1-13-7-8-17(11-21-13)26-12-18-10-19(24-27-18)20(25)23-15(3)9-16-6-4-5-14(2)22-16/h4-8,10-11,15H,9,12H2,1-3H3,(H,23,25)
InChIKeyQFHCJULFNFFSDD-UHFFFAOYSA-N
XLogP3.02
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide (CID 24819202) is 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NC(C)Cc3cccc(C)n3)no2)cn1.
What is the InChIKey of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is QFHCJULFNFFSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-7-8-17(11-21-13)26-12-18-10-19(24-27-18)20(25)23-15(3)9-16-6-4-5-14(2)22-16/h4-8,10-11,15H,9,12H2,1-3H3,(H,23,25).
What are the key properties of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).