3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide

C20H22N6O4 — CID 174689688

IUPAC3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide
SMILESCOCc1nc(Cn2ncc(N3C(C(N)=O)=C(c4ccc(C)cc4)OC3C)n2)co1
InChIInChI=1S/C20H22N6O4/c1-12-4-6-14(7-5-12)19-18(20(21)27)26(13(2)30-19)16-8-22-25(24-16)9-15-10-29-17(23-15)11-28-3/h4-8,10,13H,9,11H2,1-3H3,(H2,21,27)
InChIKeyFPZQOPLXRFEJTI-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.81
Rot. Bonds7

About 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide

3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 174689688) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide
PubChem CID174689688
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide
SMILESCOCc1nc(Cn2ncc(N3C(C(N)=O)=C(c4ccc(C)cc4)OC3C)n2)co1
InChIInChI=1S/C20H22N6O4/c1-12-4-6-14(7-5-12)19-18(20(21)27)26(13(2)30-19)16-8-22-25(24-16)9-15-10-29-17(23-15)11-28-3/h4-8,10,13H,9,11H2,1-3H3,(H2,21,27)
InChIKeyFPZQOPLXRFEJTI-UHFFFAOYSA-N
XLogP1.81
TPSA121.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide?
The IUPAC name of 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide (CID 174689688) is 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide?
The canonical SMILES for 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide is COCc1nc(Cn2ncc(N3C(C(N)=O)=C(c4ccc(C)cc4)OC3C)n2)co1.
What is the InChIKey of 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide?
The InChIKey is FPZQOPLXRFEJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-12-4-6-14(7-5-12)19-18(20(21)27)26(13(2)30-19)16-8-22-25(24-16)9-15-10-29-17(23-15)11-28-3/h4-8,10,13H,9,11H2,1-3H3,(H2,21,27).
What are the key properties of 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide?
3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(methoxymethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 174689688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).