2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

C15H20N4O3 — CID 126427567

IUPAC2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCc1nc(CN2CCC[C@H](c3ccn(CC(=O)O)n3)C2)co1
InChIInChI=1S/C15H20N4O3/c1-11-16-13(10-22-11)8-18-5-2-3-12(7-18)14-4-6-19(17-14)9-15(20)21/h4,6,10,12H,2-3,5,7-9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyOCNVGAXEAQORQH-LBPRGKRZSA-N
MW304.35 g/mol
LogP1.64
Rot. Bonds5

About 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126427567) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID126427567
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCc1nc(CN2CCC[C@H](c3ccn(CC(=O)O)n3)C2)co1
InChIInChI=1S/C15H20N4O3/c1-11-16-13(10-22-11)8-18-5-2-3-12(7-18)14-4-6-19(17-14)9-15(20)21/h4,6,10,12H,2-3,5,7-9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyOCNVGAXEAQORQH-LBPRGKRZSA-N
XLogP1.64
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126427567) is 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is Cc1nc(CN2CCC[C@H](c3ccn(CC(=O)O)n3)C2)co1.
What is the InChIKey of 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is OCNVGAXEAQORQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11-16-13(10-22-11)8-18-5-2-3-12(7-18)14-4-6-19(17-14)9-15(20)21/h4,6,10,12H,2-3,5,7-9H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126427567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).