6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine

C16H17BrN4O — CID 133342144

IUPAC6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
SMILESCC(C)(C)c1cnc(CNc2ncnc3ccc(Br)cc23)o1
InChIInChI=1S/C16H17BrN4O/c1-16(2,3)13-7-18-14(22-13)8-19-15-11-6-10(17)4-5-12(11)20-9-21-15/h4-7,9H,8H2,1-3H3,(H,19,20,21)
InChIKeyGAYACWJUDVDFIN-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.29
Rot. Bonds3

About 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine

6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine (PubChem CID 133342144) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
PubChem CID133342144
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
SMILESCC(C)(C)c1cnc(CNc2ncnc3ccc(Br)cc23)o1
InChIInChI=1S/C16H17BrN4O/c1-16(2,3)13-7-18-14(22-13)8-19-15-11-6-10(17)4-5-12(11)20-9-21-15/h4-7,9H,8H2,1-3H3,(H,19,20,21)
InChIKeyGAYACWJUDVDFIN-UHFFFAOYSA-N
XLogP4.29
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine (CID 133342144) is 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine is CC(C)(C)c1cnc(CNc2ncnc3ccc(Br)cc23)o1.
What is the InChIKey of 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine?
The InChIKey is GAYACWJUDVDFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c1-16(2,3)13-7-18-14(22-13)8-19-15-11-6-10(17)4-5-12(11)20-9-21-15/h4-7,9H,8H2,1-3H3,(H,19,20,21).
What are the key properties of 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine?
6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine has a molecular weight of 361.24 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 133342144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).