methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate

C10H9N3O3 — CID 15561719

IUPACmethyl 5-anilino-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(Nc2ccccc2)o1
InChIInChI=1S/C10H9N3O3/c1-15-9(14)8-12-13-10(16-8)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)
InChIKeyCOXZAWNDHFCYJC-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.60
Rot. Bonds3

About methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate

methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate (PubChem CID 15561719) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-anilino-1,3,4-oxadiazole-2-carboxylate
PubChem CID15561719
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namemethyl 5-anilino-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(Nc2ccccc2)o1
InChIInChI=1S/C10H9N3O3/c1-15-9(14)8-12-13-10(16-8)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)
InChIKeyCOXZAWNDHFCYJC-UHFFFAOYSA-N
XLogP1.60
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
(5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone
CID 164669073
5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 69190593
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
methane;methyl 4-anilinobenzoate
CID 160948347
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
methyl 5-(2-tert-butylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618883
methyl 5-[2-(1-benzylindol-3-yl)ethylamino]-1,3,4-oxadiazole-2-carboxylate
CID 46188080
methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate
CID 47053095
methyl 5-(2-iodo-3-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 104538298

Frequently Asked Questions

What is the IUPAC name of methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate (CID 15561719) is methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(Nc2ccccc2)o1.
What is the InChIKey of methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is COXZAWNDHFCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-15-9(14)8-12-13-10(16-8)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13).
What are the key properties of methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate?
methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 15561719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).