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

C13H13N3O2 — CID 144546360

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)CNC(=O)N2
InChIInChI=1S/C13H13N3O2/c1-7-12(8(2)18-16-7)9-3-4-11-10(5-9)6-14-13(17)15-11/h3-5H,6H2,1-2H3,(H2,14,15,17)
InChIKeyQBBIKVLKBXFYPK-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.59
Rot. Bonds1

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 144546360) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one
PubChem CID144546360
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)CNC(=O)N2
InChIInChI=1S/C13H13N3O2/c1-7-12(8(2)18-16-7)9-3-4-11-10(5-9)6-14-13(17)15-11/h3-5H,6H2,1-2H3,(H2,14,15,17)
InChIKeyQBBIKVLKBXFYPK-UHFFFAOYSA-N
XLogP2.59
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
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-dihydro-1H-quinazolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one (CID 144546360) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)CNC(=O)N2.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is QBBIKVLKBXFYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-7-12(8(2)18-16-7)9-3-4-11-10(5-9)6-14-13(17)15-11/h3-5H,6H2,1-2H3,(H2,14,15,17).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 243.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 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-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 144546360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).