6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one

C21H21N3O2 — CID 86273586

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C)(c1ccccc1)N(C)C(=O)N2
InChIInChI=1S/C21H21N3O2/c1-13-19(14(2)26-23-13)15-10-11-18-17(12-15)21(3,24(4)20(25)22-18)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,22,25)
InChIKeyHPNKVGAQIXCTBD-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds2

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one (PubChem CID 86273586) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one
PubChem CID86273586
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C)(c1ccccc1)N(C)C(=O)N2
InChIInChI=1S/C21H21N3O2/c1-13-19(14(2)26-23-13)15-10-11-18-17(12-15)21(3,24(4)20(25)22-18)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,22,25)
InChIKeyHPNKVGAQIXCTBD-UHFFFAOYSA-N
XLogP4.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one (CID 86273586) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(C)(c1ccccc1)N(C)C(=O)N2.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one?
The InChIKey is HPNKVGAQIXCTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-19(14(2)26-23-13)15-10-11-18-17(12-15)21(3,24(4)20(25)22-18)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,22,25).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one has a molecular weight of 347.42 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-4-phenyl-1H-quinazolin-2-one is sourced from PubChem (CID 86273586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).