methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate

C11H12N6O4 — CID 103107837

IUPACmethyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C11H12N6O4/c1-20-10(19)7-4-17(16-13-7)5-8(18)12-11-15-14-9(21-11)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,12,15,18)
InChIKeyDXOYEOSWQDVBHD-UHFFFAOYSA-N
MW292.26 g/mol
LogP-0.04
Rot. Bonds5

About methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate

methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate (PubChem CID 103107837) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate
PubChem CID103107837
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Namemethyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C11H12N6O4/c1-20-10(19)7-4-17(16-13-7)5-8(18)12-11-15-14-9(21-11)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,12,15,18)
InChIKeyDXOYEOSWQDVBHD-UHFFFAOYSA-N
XLogP-0.04
TPSA125.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate (CID 103107837) is methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate is COC(=O)c1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1.
What is the InChIKey of methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate?
The InChIKey is DXOYEOSWQDVBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c1-20-10(19)7-4-17(16-13-7)5-8(18)12-11-15-14-9(21-11)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,12,15,18).
What are the key properties of methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate?
methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate has a molecular weight of 292.26 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate is sourced from PubChem (CID 103107837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).