3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole

C14H20N4O — CID 92732249

IUPAC3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cn(C)nc2C)no1
InChIInChI=1S/C14H20N4O/c1-10-7-13(16-19-10)14-5-4-6-18(14)9-12-8-17(3)15-11(12)2/h7-8,14H,4-6,9H2,1-3H3/t14-/m0/s1
InChIKeyWRNGIFRALINCMP-AWEZNQCLSA-N
MW260.34 g/mol
LogP2.36
Rot. Bonds3

About 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole

3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole (PubChem CID 92732249) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
PubChem CID92732249
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cn(C)nc2C)no1
InChIInChI=1S/C14H20N4O/c1-10-7-13(16-19-10)14-5-4-6-18(14)9-12-8-17(3)15-11(12)2/h7-8,14H,4-6,9H2,1-3H3/t14-/m0/s1
InChIKeyWRNGIFRALINCMP-AWEZNQCLSA-N
XLogP2.36
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole (CID 92732249) is 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole is Cc1cc([C@@H]2CCCN2Cc2cn(C)nc2C)no1.
What is the InChIKey of 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is WRNGIFRALINCMP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-7-13(16-19-10)14-5-4-6-18(14)9-12-8-17(3)15-11(12)2/h7-8,14H,4-6,9H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 260.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 92732249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).