5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole

C20H24N4O3 — CID 151119586

IUPAC5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCc1ccc(-c2noc(C)c2COC2=CN=CCN2[C@]2(C)CCOC2)cn1
InChIInChI=1S/C20H24N4O3/c1-14-4-5-16(10-22-14)19-17(15(2)27-23-19)12-26-18-11-21-7-8-24(18)20(3)6-9-25-13-20/h4-5,7,10-11H,6,8-9,12-13H2,1-3H3/t20-/m1/s1
InChIKeyMRXACUZABCIWCQ-HXUWFJFHSA-N
MW368.44 g/mol
LogP3.23
Rot. Bonds5

About 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole

5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole (PubChem CID 151119586) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole
PubChem CID151119586
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCc1ccc(-c2noc(C)c2COC2=CN=CCN2[C@]2(C)CCOC2)cn1
InChIInChI=1S/C20H24N4O3/c1-14-4-5-16(10-22-14)19-17(15(2)27-23-19)12-26-18-11-21-7-8-24(18)20(3)6-9-25-13-20/h4-5,7,10-11H,6,8-9,12-13H2,1-3H3/t20-/m1/s1
InChIKeyMRXACUZABCIWCQ-HXUWFJFHSA-N
XLogP3.23
TPSA72.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole (CID 151119586) is 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole is Cc1ccc(-c2noc(C)c2COC2=CN=CCN2[C@]2(C)CCOC2)cn1.
What is the InChIKey of 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The InChIKey is MRXACUZABCIWCQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-4-5-16(10-22-14)19-17(15(2)27-23-19)12-26-18-11-21-7-8-24(18)20(3)6-9-25-13-20/h4-5,7,10-11H,6,8-9,12-13H2,1-3H3/t20-/m1/s1.
What are the key properties of 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole has a molecular weight of 368.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 151119586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).