2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole

C16H18N4O2 — CID 143075140

IUPAC2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2cnc(C3=C(C)C(C)CC=C3)cn2)o1
InChIInChI=1S/C16H18N4O2/c1-10-5-4-6-12(11(10)2)13-7-18-14(8-17-13)16-20-19-15(22-16)9-21-3/h4,6-8,10H,5,9H2,1-3H3
InChIKeyWLZXYTQKVDJYON-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.04
Rot. Bonds4

About 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole

2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole (PubChem CID 143075140) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole
PubChem CID143075140
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2cnc(C3=C(C)C(C)CC=C3)cn2)o1
InChIInChI=1S/C16H18N4O2/c1-10-5-4-6-12(11(10)2)13-7-18-14(8-17-13)16-20-19-15(22-16)9-21-3/h4,6-8,10H,5,9H2,1-3H3
InChIKeyWLZXYTQKVDJYON-UHFFFAOYSA-N
XLogP3.04
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole (CID 143075140) is 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole is COCc1nnc(-c2cnc(C3=C(C)C(C)CC=C3)cn2)o1.
What is the InChIKey of 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole?
The InChIKey is WLZXYTQKVDJYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-5-4-6-12(11(10)2)13-7-18-14(8-17-13)16-20-19-15(22-16)9-21-3/h4,6-8,10H,5,9H2,1-3H3.
What are the key properties of 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole?
2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole has a molecular weight of 298.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylcyclohexa-1,5-dien-1-yl)pyrazin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 143075140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).