4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid

C10H13FN2O3 — CID 70890822

IUPAC4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCCCC2)nc1CF
InChIInChI=1S/C10H13FN2O3/c11-6-7-8(9(14)15)16-10(12-7)13-4-2-1-3-5-13/h1-6H2,(H,14,15)
InChIKeyQQUCNILQBWOHDA-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.83
Rot. Bonds3

About 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid

4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 70890822) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid
PubChem CID70890822
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCCCC2)nc1CF
InChIInChI=1S/C10H13FN2O3/c11-6-7-8(9(14)15)16-10(12-7)13-4-2-1-3-5-13/h1-6H2,(H,14,15)
InChIKeyQQUCNILQBWOHDA-UHFFFAOYSA-N
XLogP1.83
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid
CID 82470813
2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428958
2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428628
4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
CID 87343436
1-[5-[2-[4-(fluoromethyl)-2-(2-methylpiperidin-1-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 58428791
2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428727
2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid
CID 4767455
2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428794
1-(2-pyrrolidin-1-yl-1,3-benzoxazol-5-yl)ethanone
CID 83894123
2-cyclopropyl-1-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]ethanone
CID 58428755
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 116808522
2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid (CID 70890822) is 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(N2CCCCC2)nc1CF.
What is the InChIKey of 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is QQUCNILQBWOHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c11-6-7-8(9(14)15)16-10(12-7)13-4-2-1-3-5-13/h1-6H2,(H,14,15).
What are the key properties of 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid?
4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 228.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 70890822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).