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

C16H24N4O — CID 92732638

IUPAC4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1Cc1cn(C)nc1C
InChIInChI=1S/C16H24N4O/c1-5-15-16(12(3)18-21-15)14-7-6-8-20(14)10-13-9-19(4)17-11(13)2/h9,14H,5-8,10H2,1-4H3/t14-/m0/s1
InChIKeyMBDXSSXRSBXZBH-AWEZNQCLSA-N
MW288.39 g/mol
LogP2.92
Rot. Bonds4

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

4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (PubChem CID 92732638) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
PubChem CID92732638
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1Cc1cn(C)nc1C
InChIInChI=1S/C16H24N4O/c1-5-15-16(12(3)18-21-15)14-7-6-8-20(14)10-13-9-19(4)17-11(13)2/h9,14H,5-8,10H2,1-4H3/t14-/m0/s1
InChIKeyMBDXSSXRSBXZBH-AWEZNQCLSA-N
XLogP2.92
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (CID 92732638) is 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is CCc1onc(C)c1[C@@H]1CCCN1Cc1cn(C)nc1C.
What is the InChIKey of 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The InChIKey is MBDXSSXRSBXZBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-15-16(12(3)18-21-15)14-7-6-8-20(14)10-13-9-19(4)17-11(13)2/h9,14H,5-8,10H2,1-4H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole has a molecular weight of 288.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 92732638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).