2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine

C19H15FN4O — CID 3235280

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H15FN4O/c1-11-17(12(2)25-24-11)19-22-16-6-4-3-5-15(16)18(23-19)21-14-9-7-13(20)8-10-14/h3-10H,1-2H3,(H,21,22,23)
InChIKeyUPPQZEIIOKYCSS-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.78
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine (PubChem CID 3235280) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine
PubChem CID3235280
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H15FN4O/c1-11-17(12(2)25-24-11)19-22-16-6-4-3-5-15(16)18(23-19)21-14-9-7-13(20)8-10-14/h3-10H,1-2H3,(H,21,22,23)
InChIKeyUPPQZEIIOKYCSS-UHFFFAOYSA-N
XLogP4.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine (CID 3235280) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine is Cc1noc(C)c1-c1nc(Nc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine?
The InChIKey is UPPQZEIIOKYCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-11-17(12(2)25-24-11)19-22-16-6-4-3-5-15(16)18(23-19)21-14-9-7-13(20)8-10-14/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine has a molecular weight of 334.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 3235280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).