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

C19H20N6O5 — CID 174689768

IUPAC3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide
SMILESCOCc1coc(Cn2ncc(N3COC(c4ccccc4OC)=C3C(N)=O)n2)n1
InChIInChI=1S/C19H20N6O5/c1-27-9-12-10-29-16(22-12)8-25-21-7-15(23-25)24-11-30-18(17(24)19(20)26)13-5-3-4-6-14(13)28-2/h3-7,10H,8-9,11H2,1-2H3,(H2,20,26)
InChIKeyZZUQGEGGWNBLCX-UHFFFAOYSA-N
MW412.41 g/mol
LogP1.12
Rot. Bonds8

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

3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 174689768) has the molecular formula C19H20N6O5 and a molecular weight of 412.41 g/mol. Its IUPAC name is 3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide
PubChem CID174689768
Molecular FormulaC19H20N6O5
Molecular Weight412.41 g/mol
Exact Mass412.15
IUPAC Name3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide
SMILESCOCc1coc(Cn2ncc(N3COC(c4ccccc4OC)=C3C(N)=O)n2)n1
InChIInChI=1S/C19H20N6O5/c1-27-9-12-10-29-16(22-12)8-25-21-7-15(23-25)24-11-30-18(17(24)19(20)26)13-5-3-4-6-14(13)28-2/h3-7,10H,8-9,11H2,1-2H3,(H2,20,26)
InChIKeyZZUQGEGGWNBLCX-UHFFFAOYSA-N
XLogP1.12
TPSA130.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]-2H-1,3-oxazole-4-carboxamide
CID 174702584
3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]-2H-1,3-oxazole-4-carboxamide
CID 174702585
ethyl N-propan-2-yl-N-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]triazol-4-yl]carbamate
CID 175061999
ethyl N-propan-2-yl-N-[1-[4-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]triazol-4-yl]carbamate
CID 175062000
ethyl N-(2-methoxyethyl)-N-[1-[4-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]triazol-4-yl]carbamate
CID 175066381
3-[2-[[4-(ethoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-2H-1,3-oxazole-4-carboxamide
CID 117664882
4-(ethoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole
CID 141425388
4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole
CID 141425394
2-[[4-[2-cyclopropyl-5-(3-methylphenyl)-2H-1,3-oxazol-3-yl]triazol-2-yl]methyl]-4-(methoxymethyl)-1,3-oxazole
CID 151437978
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
3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide
CID 174689689
3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(4-methylphenyl)-2H-1,3-oxazole-4-carboxamide
CID 174689692

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide?
The IUPAC name of 3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide (CID 174689768) is 3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide?
The canonical SMILES for 3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide is COCc1coc(Cn2ncc(N3COC(c4ccccc4OC)=C3C(N)=O)n2)n1.
What is the InChIKey of 3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide?
The InChIKey is ZZUQGEGGWNBLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5/c1-27-9-12-10-29-16(22-12)8-25-21-7-15(23-25)24-11-30-18(17(24)19(20)26)13-5-3-4-6-14(13)28-2/h3-7,10H,8-9,11H2,1-2H3,(H2,20,26).
What are the key properties of 3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide?
3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-(2-methoxyphenyl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 174689768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).