2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid

C15H18N2O3 — CID 116691156

IUPAC2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid
SMILESCC1CCN(c2nc3ccc(C(=O)O)cc3o2)C(C)C1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-17(10(2)7-9)15-16-12-4-3-11(14(18)19)8-13(12)20-15/h3-4,8-10H,5-7H2,1-2H3,(H,18,19)
InChIKeyDNZLEELNGLBMQE-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.15
Rot. Bonds2

About 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid

2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid (PubChem CID 116691156) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid
PubChem CID116691156
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid
SMILESCC1CCN(c2nc3ccc(C(=O)O)cc3o2)C(C)C1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-17(10(2)7-9)15-16-12-4-3-11(14(18)19)8-13(12)20-15/h3-4,8-10H,5-7H2,1-2H3,(H,18,19)
InChIKeyDNZLEELNGLBMQE-UHFFFAOYSA-N
XLogP3.15
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 104967637
2-(2-methyl-3-oxopiperazin-1-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116691303
2-[3-(hydroxymethyl)morpholin-4-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116691705
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116691027
2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116690887
2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116691253
6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62331437
2-[3-(hydroxymethyl)piperidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116690760
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 113378624
2-(1,2,4-triazol-1-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116689956
2-[(3,4-dimethylcyclohexyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691430
2-(1-methylcyclopentyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358454

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid (CID 116691156) is 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid is CC1CCN(c2nc3ccc(C(=O)O)cc3o2)C(C)C1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is DNZLEELNGLBMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-5-6-17(10(2)7-9)15-16-12-4-3-11(14(18)19)8-13(12)20-15/h3-4,8-10H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid?
2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 116691156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).