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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Related Compounds

5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
1-(3-methylphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]triazole-4-carboxamide
CID 71880566
methyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
CID 122241294
methyl 1-[3-[(1-propylindol-5-yl)carbamoylamino]phenyl]triazole-4-carboxylate
CID 167833181
3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide
CID 47045295
5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 146021404
1-[3-[[2-methoxy-2-(oxolan-3-yl)acetyl]amino]phenyl]triazole-4-carboxylic acid
CID 139020454
N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
CID 46576505
dimethyl 5-(4-methoxycarbonyltriazol-1-yl)benzene-1,3-dicarboxylate
CID 122241480
methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxylate
CID 122241226
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949

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).