[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone

C17H23N5O2 — CID 136798263

IUPAC[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)N3CCCC3)C2)on1
InChIInChI=1S/C17H23N5O2/c1-12-9-15(24-20-12)14-10-18-19-16(14)13-5-4-8-22(11-13)17(23)21-6-2-3-7-21/h9-10,13H,2-8,11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyGLBBADJEXOLAPP-CYBMUJFWSA-N
MW329.40 g/mol
LogP2.77
Rot. Bonds2

About [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone

[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 136798263) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID136798263
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)N3CCCC3)C2)on1
InChIInChI=1S/C17H23N5O2/c1-12-9-15(24-20-12)14-10-18-19-16(14)13-5-4-8-22(11-13)17(23)21-6-2-3-7-21/h9-10,13H,2-8,11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyGLBBADJEXOLAPP-CYBMUJFWSA-N
XLogP2.77
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 136798263) is [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone is Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)N3CCCC3)C2)on1.
What is the InChIKey of [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GLBBADJEXOLAPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-9-15(24-20-12)14-10-18-19-16(14)13-5-4-8-22(11-13)17(23)21-6-2-3-7-21/h9-10,13H,2-8,11H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 329.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 136798263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).