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

C18H16N6O4 — CID 57407307

IUPACN-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCOCc1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
InChIInChI=1S/C18H16N6O4/c1-26-9-13-10-27-15(21-13)8-24-20-7-14(23-24)22-18(25)16-17(28-11-19-16)12-5-3-2-4-6-12/h2-7,10-11H,8-9H2,1H3,(H,22,23,25)
InChIKeyUGFJIELPBKMWQL-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.37
Rot. Bonds7

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

N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 57407307) has the molecular formula C18H16N6O4 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID57407307
Molecular FormulaC18H16N6O4
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC NameN-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCOCc1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
InChIInChI=1S/C18H16N6O4/c1-26-9-13-10-27-15(21-13)8-24-20-7-14(23-24)22-18(25)16-17(28-11-19-16)12-5-3-2-4-6-12/h2-7,10-11H,8-9H2,1H3,(H,22,23,25)
InChIKeyUGFJIELPBKMWQL-UHFFFAOYSA-N
XLogP2.37
TPSA121.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 57407307) is N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is COCc1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1.
What is the InChIKey of N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is UGFJIELPBKMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O4/c1-26-9-13-10-27-15(21-13)8-24-20-7-14(23-24)22-18(25)16-17(28-11-19-16)12-5-3-2-4-6-12/h2-7,10-11H,8-9H2,1H3,(H,22,23,25).
What are the key properties of N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 380.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57407307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).