1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one

C20H18N4O3 — CID 118478132

IUPAC1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one
SMILESCc1cc(Oc2nccc3onc(C)c23)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C20H18N4O3/c1-11-9-14(26-20-18-12(2)23-27-16(18)7-8-21-20)5-6-15(11)19-13(3)22-10-17(25)24(19)4/h5-10H,1-4H3
InChIKeyOBJSNEZOZZZJKP-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.70
Rot. Bonds3

About 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one

1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one (PubChem CID 118478132) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one
PubChem CID118478132
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one
SMILESCc1cc(Oc2nccc3onc(C)c23)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C20H18N4O3/c1-11-9-14(26-20-18-12(2)23-27-16(18)7-8-21-20)5-6-15(11)19-13(3)22-10-17(25)24(19)4/h5-10H,1-4H3
InChIKeyOBJSNEZOZZZJKP-UHFFFAOYSA-N
XLogP3.70
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one?
The IUPAC name of 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one (CID 118478132) is 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one.
What is the SMILES notation for 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one?
The canonical SMILES for 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one is Cc1cc(Oc2nccc3onc(C)c23)ccc1-c1c(C)ncc(=O)n1C.
What is the InChIKey of 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one?
The InChIKey is OBJSNEZOZZZJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-11-9-14(26-20-18-12(2)23-27-16(18)7-8-21-20)5-6-15(11)19-13(3)22-10-17(25)24(19)4/h5-10H,1-4H3.
What are the key properties of 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one?
1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one has a molecular weight of 362.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one is sourced from PubChem (CID 118478132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).