methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate

C15H13N5O4 — CID 119051518

IUPACmethyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(NC(=O)c3cc(C)on3)c2)nn1
InChIInChI=1S/C15H13N5O4/c1-9-6-12(18-24-9)14(21)16-10-4-3-5-11(7-10)20-8-13(17-19-20)15(22)23-2/h3-8H,1-2H3,(H,16,21)
InChIKeyRCLOLIXSHDXQKJ-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.60
Rot. Bonds4

About methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate

methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate (PubChem CID 119051518) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate
PubChem CID119051518
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC Namemethyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(NC(=O)c3cc(C)on3)c2)nn1
InChIInChI=1S/C15H13N5O4/c1-9-6-12(18-24-9)14(21)16-10-4-3-5-11(7-10)20-8-13(17-19-20)15(22)23-2/h3-8H,1-2H3,(H,16,21)
InChIKeyRCLOLIXSHDXQKJ-UHFFFAOYSA-N
XLogP1.60
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate (CID 119051518) is methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate is COC(=O)c1cn(-c2cccc(NC(=O)c3cc(C)on3)c2)nn1.
What is the InChIKey of methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate?
The InChIKey is RCLOLIXSHDXQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c1-9-6-12(18-24-9)14(21)16-10-4-3-5-11(7-10)20-8-13(17-19-20)15(22)23-2/h3-8H,1-2H3,(H,16,21).
What are the key properties of methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate?
methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate has a molecular weight of 327.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate is sourced from PubChem (CID 119051518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).