2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H20N4O2S — CID 1442423

IUPAC2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)no1
InChIInChI=1S/C18H20N4O2S/c1-11-9-14(22-24-11)20-15(23)10-25-16-12-7-5-6-8-13(12)19-17(21-16)18(2,3)4/h5-9H,10H2,1-4H3,(H,20,22,23)
InChIKeyDBYZUNNMOSYGAK-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.95
Rot. Bonds4

About 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 1442423) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID1442423
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)no1
InChIInChI=1S/C18H20N4O2S/c1-11-9-14(22-24-11)20-15(23)10-25-16-12-7-5-6-8-13(12)19-17(21-16)18(2,3)4/h5-9H,10H2,1-4H3,(H,20,22,23)
InChIKeyDBYZUNNMOSYGAK-UHFFFAOYSA-N
XLogP3.95
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 1442423) is 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)no1.
What is the InChIKey of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DBYZUNNMOSYGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-9-14(22-24-11)20-15(23)10-25-16-12-7-5-6-8-13(12)19-17(21-16)18(2,3)4/h5-9H,10H2,1-4H3,(H,20,22,23).
What are the key properties of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 1442423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).