1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid

C12H11N5O4 — CID 102642491

IUPAC1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid
SMILESO=C1NCC(Cn2nnc(C(=O)O)c2-c2cccnc2)O1
InChIInChI=1S/C12H11N5O4/c18-11(19)9-10(7-2-1-3-13-4-7)17(16-15-9)6-8-5-14-12(20)21-8/h1-4,8H,5-6H2,(H,14,20)(H,18,19)
InChIKeyVSHOSHXGRZXOOD-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.15
Rot. Bonds4

About 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid

1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid (PubChem CID 102642491) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid
PubChem CID102642491
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid
SMILESO=C1NCC(Cn2nnc(C(=O)O)c2-c2cccnc2)O1
InChIInChI=1S/C12H11N5O4/c18-11(19)9-10(7-2-1-3-13-4-7)17(16-15-9)6-8-5-14-12(20)21-8/h1-4,8H,5-6H2,(H,14,20)(H,18,19)
InChIKeyVSHOSHXGRZXOOD-UHFFFAOYSA-N
XLogP0.15
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(oxolan-3-ylmethyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642508
1-[2-(azetidin-1-yl)-2-oxoethyl]-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642392
1-(cyanomethyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 82206349
5-pyridin-3-yl-1-(2,2,2-trifluoroethyl)triazole-4-carboxylic acid
CID 102642421
1-[(3-methylimidazol-4-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642498
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642471
1-[(2,4-dimethylphenyl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid
CID 56769020
1-[3-(ethylamino)-3-oxopropyl]-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642507
ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
CID 103105117
1-(oxolan-3-ylmethyl)-5-phenyltriazole-4-carboxylic acid
CID 102642638
1-(oxan-4-ylmethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645086
1-(cyclopropylmethyl)-5-(4-fluorophenyl)triazole-4-carboxylic acid
CID 102644330

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid?
The IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid (CID 102642491) is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid is O=C1NCC(Cn2nnc(C(=O)O)c2-c2cccnc2)O1.
What is the InChIKey of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid?
The InChIKey is VSHOSHXGRZXOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c18-11(19)9-10(7-2-1-3-13-4-7)17(16-15-9)6-8-5-14-12(20)21-8/h1-4,8H,5-6H2,(H,14,20)(H,18,19).
What are the key properties of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid?
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid has a molecular weight of 289.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-pyridin-3-yltriazole-4-carboxylic acid is sourced from PubChem (CID 102642491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).