2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C18H23N3O2S — CID 166248246

IUPAC2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(SCc3cc(C(C)(C)C)on3)nc2C1
InChIInChI=1S/C18H23N3O2S/c1-17(2,3)15-6-11(21-23-15)10-24-16-19-9-12-13(20-16)7-18(4,5)8-14(12)22/h6,9H,7-8,10H2,1-5H3
InChIKeyDIGJXPHPAPUJOQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.21
Rot. Bonds3

About 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 166248246) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID166248246
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(SCc3cc(C(C)(C)C)on3)nc2C1
InChIInChI=1S/C18H23N3O2S/c1-17(2,3)15-6-11(21-23-15)10-24-16-19-9-12-13(20-16)7-18(4,5)8-14(12)22/h6,9H,7-8,10H2,1-5H3
InChIKeyDIGJXPHPAPUJOQ-UHFFFAOYSA-N
XLogP4.21
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one 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-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 166248246) is 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(SCc3cc(C(C)(C)C)on3)nc2C1.
What is the InChIKey of 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is DIGJXPHPAPUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-17(2,3)15-6-11(21-23-15)10-24-16-19-9-12-13(20-16)7-18(4,5)8-14(12)22/h6,9H,7-8,10H2,1-5H3.
What are the key properties of 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 345.47 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylsulfanyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 166248246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).