1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea

C15H25N7O3 — CID 122567807

IUPAC1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea
SMILESCCN(Cc1nc(COC)no1)C(=O)NC(c1ncnn1C)C(C)C
InChIInChI=1S/C15H25N7O3/c1-6-22(7-12-18-11(8-24-5)20-25-12)15(23)19-13(10(2)3)14-16-9-17-21(14)4/h9-10,13H,6-8H2,1-5H3,(H,19,23)
InChIKeyXYBPVYVKIRIESE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.27
Rot. Bonds8

About 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea

1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea (PubChem CID 122567807) has the molecular formula C15H25N7O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea
PubChem CID122567807
Molecular FormulaC15H25N7O3
Molecular Weight351.41 g/mol
Exact Mass351.20
IUPAC Name1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea
SMILESCCN(Cc1nc(COC)no1)C(=O)NC(c1ncnn1C)C(C)C
InChIInChI=1S/C15H25N7O3/c1-6-22(7-12-18-11(8-24-5)20-25-12)15(23)19-13(10(2)3)14-16-9-17-21(14)4/h9-10,13H,6-8H2,1-5H3,(H,19,23)
InChIKeyXYBPVYVKIRIESE-UHFFFAOYSA-N
XLogP1.27
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea?
The IUPAC name of 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea (CID 122567807) is 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea.
What is the SMILES notation for 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea?
The canonical SMILES for 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea is CCN(Cc1nc(COC)no1)C(=O)NC(c1ncnn1C)C(C)C.
What is the InChIKey of 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea?
The InChIKey is XYBPVYVKIRIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O3/c1-6-22(7-12-18-11(8-24-5)20-25-12)15(23)19-13(10(2)3)14-16-9-17-21(14)4/h9-10,13H,6-8H2,1-5H3,(H,19,23).
What are the key properties of 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea?
1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea has a molecular weight of 351.41 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]urea is sourced from PubChem (CID 122567807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).