3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole

C19H22N6O — CID 124990434

IUPAC3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc(C[C@H]2CCN(Cc3cnccn3)C2)cn1
InChIInChI=1S/C19H22N6O/c1-13-19(14(2)26-24-13)18-10-22-16(9-23-18)7-15-3-6-25(11-15)12-17-8-20-4-5-21-17/h4-5,8-10,15H,3,6-7,11-12H2,1-2H3/t15-/m1/s1
InChIKeyPBTZHHWPMKDAIE-OAHLLOKOSA-N
MW350.43 g/mol
LogP2.60
Rot. Bonds5

About 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole (PubChem CID 124990434) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole
PubChem CID124990434
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc(C[C@H]2CCN(Cc3cnccn3)C2)cn1
InChIInChI=1S/C19H22N6O/c1-13-19(14(2)26-24-13)18-10-22-16(9-23-18)7-15-3-6-25(11-15)12-17-8-20-4-5-21-17/h4-5,8-10,15H,3,6-7,11-12H2,1-2H3/t15-/m1/s1
InChIKeyPBTZHHWPMKDAIE-OAHLLOKOSA-N
XLogP2.60
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 124999304
3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
CID 124960755
4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 110129306
[(3R)-3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 125014804
[3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159037
3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125009384
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125003846
(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71644033
(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 95846087
3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125001551
1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71644418
4-[6-[[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124957980

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole (CID 124990434) is 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc(C[C@H]2CCN(Cc3cnccn3)C2)cn1.
What is the InChIKey of 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole?
The InChIKey is PBTZHHWPMKDAIE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-19(14(2)26-24-13)18-10-22-16(9-23-18)7-15-3-6-25(11-15)12-17-8-20-4-5-21-17/h4-5,8-10,15H,3,6-7,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole has a molecular weight of 350.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole is sourced from PubChem (CID 124990434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).