2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide

C21H24N6O2 — CID 110238924

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CC(C)(C)Cc2nc(-c3cnccn3)ncc21
InChIInChI=1S/C21H24N6O2/c1-12-14(13(2)29-27-12)7-19(28)25-16-8-21(3,4)9-17-15(16)10-24-20(26-17)18-11-22-5-6-23-18/h5-6,10-11,16H,7-9H2,1-4H3,(H,25,28)
InChIKeyGDQOWRLDMIBDOG-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.91
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide (PubChem CID 110238924) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide
PubChem CID110238924
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CC(C)(C)Cc2nc(-c3cnccn3)ncc21
InChIInChI=1S/C21H24N6O2/c1-12-14(13(2)29-27-12)7-19(28)25-16-8-21(3,4)9-17-15(16)10-24-20(26-17)18-11-22-5-6-23-18/h5-6,10-11,16H,7-9H2,1-4H3,(H,25,28)
InChIKeyGDQOWRLDMIBDOG-UHFFFAOYSA-N
XLogP2.91
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide (CID 110238924) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide is Cc1noc(C)c1CC(=O)NC1CC(C)(C)Cc2nc(-c3cnccn3)ncc21.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide?
The InChIKey is GDQOWRLDMIBDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-12-14(13(2)29-27-12)7-19(28)25-16-8-21(3,4)9-17-15(16)10-24-20(26-17)18-11-22-5-6-23-18/h5-6,10-11,16H,7-9H2,1-4H3,(H,25,28).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide is sourced from PubChem (CID 110238924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).