2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C17H17F3N2O4 — CID 58428657

IUPAC2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOc1ccccc1C1CCCN(c2nc(C(F)(F)F)c(C(=O)O)o2)C1
InChIInChI=1S/C17H17F3N2O4/c1-25-12-7-3-2-6-11(12)10-5-4-8-22(9-10)16-21-14(17(18,19)20)13(26-16)15(23)24/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyNVQSOFRIJAPIJM-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.78
Rot. Bonds4

About 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 58428657) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID58428657
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOc1ccccc1C1CCCN(c2nc(C(F)(F)F)c(C(=O)O)o2)C1
InChIInChI=1S/C17H17F3N2O4/c1-25-12-7-3-2-6-11(12)10-5-4-8-22(9-10)16-21-14(17(18,19)20)13(26-16)15(23)24/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyNVQSOFRIJAPIJM-UHFFFAOYSA-N
XLogP3.78
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 58428657) is 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is COc1ccccc1C1CCCN(c2nc(C(F)(F)F)c(C(=O)O)o2)C1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is NVQSOFRIJAPIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-25-12-7-3-2-6-11(12)10-5-4-8-22(9-10)16-21-14(17(18,19)20)13(26-16)15(23)24/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,23,24).
What are the key properties of 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 370.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 58428657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).