N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine

C15H13F3N4O — CID 71937141

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1noc(C)c1CNc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H13F3N4O/c1-8-11(9(2)23-22-8)7-19-13-10-5-3-4-6-12(10)20-14(21-13)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,20,21)
InChIKeyFWIYDDWIQNTMQS-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.87
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 71937141) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID71937141
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1noc(C)c1CNc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H13F3N4O/c1-8-11(9(2)23-22-8)7-19-13-10-5-3-4-6-12(10)20-14(21-13)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,20,21)
InChIKeyFWIYDDWIQNTMQS-UHFFFAOYSA-N
XLogP3.87
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine (CID 71937141) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine is Cc1noc(C)c1CNc1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is FWIYDDWIQNTMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-8-11(9(2)23-22-8)7-19-13-10-5-3-4-6-12(10)20-14(21-13)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 322.29 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 71937141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).