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

C15H22N4O — CID 92732253

IUPAC4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nn(C)cc1CN1CCC[C@H]1c1c(C)noc1C
InChIInChI=1S/C15H22N4O/c1-10-13(8-18(4)16-10)9-19-7-5-6-14(19)15-11(2)17-20-12(15)3/h8,14H,5-7,9H2,1-4H3/t14-/m0/s1
InChIKeyILTCDPCRPMIKRD-AWEZNQCLSA-N
MW274.37 g/mol
LogP2.67
Rot. Bonds3

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

4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 92732253) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID92732253
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nn(C)cc1CN1CCC[C@H]1c1c(C)noc1C
InChIInChI=1S/C15H22N4O/c1-10-13(8-18(4)16-10)9-19-7-5-6-14(19)15-11(2)17-20-12(15)3/h8,14H,5-7,9H2,1-4H3/t14-/m0/s1
InChIKeyILTCDPCRPMIKRD-AWEZNQCLSA-N
XLogP2.67
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.67
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]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 92732253) is 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is Cc1nn(C)cc1CN1CCC[C@H]1c1c(C)noc1C.
What is the InChIKey of 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ILTCDPCRPMIKRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-13(8-18(4)16-10)9-19-7-5-6-14(19)15-11(2)17-20-12(15)3/h8,14H,5-7,9H2,1-4H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 274.37 g/mol, XLogP of 2.67, 3 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]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 92732253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).