3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole

C20H25N5O — CID 125009384

IUPAC3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3ccn(C)n3)C2)n1
InChIInChI=1S/C20H25N5O/c1-14-20(15(2)26-23-14)19-6-4-5-17(21-19)11-16-7-10-25(12-16)13-18-8-9-24(3)22-18/h4-6,8-9,16H,7,10-13H2,1-3H3/t16-/m1/s1
InChIKeyVBZZMGPLEMPDPM-MRXNPFEDSA-N
MW351.45 g/mol
LogP3.15
Rot. Bonds5

About 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole

3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole (PubChem CID 125009384) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
PubChem CID125009384
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3ccn(C)n3)C2)n1
InChIInChI=1S/C20H25N5O/c1-14-20(15(2)26-23-14)19-6-4-5-17(21-19)11-16-7-10-25(12-16)13-18-8-9-24(3)22-18/h4-6,8-9,16H,7,10-13H2,1-3H3/t16-/m1/s1
InChIKeyVBZZMGPLEMPDPM-MRXNPFEDSA-N
XLogP3.15
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125001551
2-methyl-6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 124976617
2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110129417
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 125017199
1-[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124968773
3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole
CID 124990434
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110129102
(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-[(1-methylimidazol-4-yl)methyl]morpholine
CID 125017680
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110129574
4-[6-[[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124957980
4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 110129306

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole (CID 125009384) is 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole is Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3ccn(C)n3)C2)n1.
What is the InChIKey of 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole?
The InChIKey is VBZZMGPLEMPDPM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-20(15(2)26-23-14)19-6-4-5-17(21-19)11-16-7-10-25(12-16)13-18-8-9-24(3)22-18/h4-6,8-9,16H,7,10-13H2,1-3H3/t16-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole?
3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole has a molecular weight of 351.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole is sourced from PubChem (CID 125009384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).