6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one

C20H19N3O2 — CID 86273096

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(C)C(=O)N2
InChIInChI=1S/C20H19N3O2/c1-12-18(13(2)25-22-12)15-9-10-17-16(11-15)19(23(3)20(24)21-17)14-7-5-4-6-8-14/h4-11,19H,1-3H3,(H,21,24)
InChIKeyBNBIFSSTJDGSSB-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.53
Rot. Bonds2

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one (PubChem CID 86273096) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one
PubChem CID86273096
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(C)C(=O)N2
InChIInChI=1S/C20H19N3O2/c1-12-18(13(2)25-22-12)15-9-10-17-16(11-15)19(23(3)20(24)21-17)14-7-5-4-6-8-14/h4-11,19H,1-3H3,(H,21,24)
InChIKeyBNBIFSSTJDGSSB-UHFFFAOYSA-N
XLogP4.53
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.53
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-methyl-4-phenyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one (CID 86273096) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(C)C(=O)N2.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one?
The InChIKey is BNBIFSSTJDGSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-18(13(2)25-22-12)15-9-10-17-16(11-15)19(23(3)20(24)21-17)14-7-5-4-6-8-14/h4-11,19H,1-3H3,(H,21,24).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one has a molecular weight of 333.39 g/mol, XLogP of 4.53, 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-methyl-4-phenyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 86273096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).