2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid

C9H12N2O3 — CID 83879757

IUPAC2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCCN2)o1
InChIInChI=1S/C9H12N2O3/c12-9(13)7-5-11-8(14-7)6-3-1-2-4-10-6/h5-6,10H,1-4H2,(H,12,13)
InChIKeyKCWPINADTCNIBO-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.19
Rot. Bonds2

About 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid

2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 83879757) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
PubChem CID83879757
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCCN2)o1
InChIInChI=1S/C9H12N2O3/c12-9(13)7-5-11-8(14-7)6-3-1-2-4-10-6/h5-6,10H,1-4H2,(H,12,13)
InChIKeyKCWPINADTCNIBO-UHFFFAOYSA-N
XLogP1.19
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone
CID 115085669
2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
CID 115085791
2-(2-piperidin-2-yl-1,3-oxazol-5-yl)propan-1-ol
CID 115085864
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
CID 115085656
3-piperidin-2-yl-1,2-oxazole-4-carboxylic acid
CID 102537895
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
CID 82384588
5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 115033418
3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid
CID 131871286
2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115021666
2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115085637
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide
CID 115047827

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid (CID 83879757) is 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid is O=C(O)c1cnc(C2CCCCN2)o1.
What is the InChIKey of 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is KCWPINADTCNIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-9(13)7-5-11-8(14-7)6-3-1-2-4-10-6/h5-6,10H,1-4H2,(H,12,13).
What are the key properties of 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid?
2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 83879757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).