3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid

C16H17FN2O3 — CID 117489575

IUPAC3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CN3CCCCC3)c(F)c2)no1
InChIInChI=1S/C16H17FN2O3/c17-13-8-11(14-9-15(16(20)21)22-18-14)4-5-12(13)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2,(H,20,21)
InChIKeyBYEHPXQJGTWDQZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.16
Rot. Bonds4

About 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117489575) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117489575
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CN3CCCCC3)c(F)c2)no1
InChIInChI=1S/C16H17FN2O3/c17-13-8-11(14-9-15(16(20)21)22-18-14)4-5-12(13)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2,(H,20,21)
InChIKeyBYEHPXQJGTWDQZ-UHFFFAOYSA-N
XLogP3.16
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402586
3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobut-2-ene-1-carboxylic acid
CID 142779564
3-(4-fluoro-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375400
3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide
CID 68866081
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117444331
2-amino-4-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405597
3-(3-bromo-4,5-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117488801
3-(3-methyl-1,2-benzoxazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117361899

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117489575) is 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(CN3CCCCC3)c(F)c2)no1.
What is the InChIKey of 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is BYEHPXQJGTWDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-13-8-11(14-9-15(16(20)21)22-18-14)4-5-12(13)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2,(H,20,21).
What are the key properties of 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117489575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).