7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one

C13H13N3O2 — CID 20800098

IUPAC7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one
SMILESCc1nc2cc(C3=NCCO3)ccc2c(=O)n1C
InChIInChI=1S/C13H13N3O2/c1-8-15-11-7-9(12-14-5-6-18-12)3-4-10(11)13(17)16(8)2/h3-4,7H,5-6H2,1-2H3
InChIKeyPDWPQAVIVJPQMP-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.02
Rot. Bonds1

About 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one

7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one (PubChem CID 20800098) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one.

Molecular Properties

Compound Name7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one
PubChem CID20800098
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one
SMILESCc1nc2cc(C3=NCCO3)ccc2c(=O)n1C
InChIInChI=1S/C13H13N3O2/c1-8-15-11-7-9(12-14-5-6-18-12)3-4-10(11)13(17)16(8)2/h3-4,7H,5-6H2,1-2H3
InChIKeyPDWPQAVIVJPQMP-UHFFFAOYSA-N
XLogP1.02
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one?
The IUPAC name of 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one (CID 20800098) is 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one.
What is the SMILES notation for 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one?
The canonical SMILES for 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one is Cc1nc2cc(C3=NCCO3)ccc2c(=O)n1C.
What is the InChIKey of 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one?
The InChIKey is PDWPQAVIVJPQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-15-11-7-9(12-14-5-6-18-12)3-4-10(11)13(17)16(8)2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one?
7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one has a molecular weight of 243.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one is sourced from PubChem (CID 20800098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).