5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid

C15H17N3O4 — CID 56703224

IUPAC5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid
SMILESCN(Cc1ccc(O)c(C(=O)O)c1)Cc1nc(C2CC2)no1
InChIInChI=1S/C15H17N3O4/c1-18(8-13-16-14(17-22-13)10-3-4-10)7-9-2-5-12(19)11(6-9)15(20)21/h2,5-6,10,19H,3-4,7-8H2,1H3,(H,20,21)
InChIKeyMZIUPVHGGSCANI-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.98
Rot. Bonds6

About 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid

5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid (PubChem CID 56703224) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid
PubChem CID56703224
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid
SMILESCN(Cc1ccc(O)c(C(=O)O)c1)Cc1nc(C2CC2)no1
InChIInChI=1S/C15H17N3O4/c1-18(8-13-16-14(17-22-13)10-3-4-10)7-9-2-5-12(19)11(6-9)15(20)21/h2,5-6,10,19H,3-4,7-8H2,1H3,(H,20,21)
InChIKeyMZIUPVHGGSCANI-UHFFFAOYSA-N
XLogP1.98
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid (CID 56703224) is 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid is CN(Cc1ccc(O)c(C(=O)O)c1)Cc1nc(C2CC2)no1.
What is the InChIKey of 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid?
The InChIKey is MZIUPVHGGSCANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-18(8-13-16-14(17-22-13)10-3-4-10)7-9-2-5-12(19)11(6-9)15(20)21/h2,5-6,10,19H,3-4,7-8H2,1H3,(H,20,21).
What are the key properties of 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid?
5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 56703224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).