6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine

C13H11BrN4O — CID 97257160

IUPAC6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1ncnc2ccc(Br)cc12)c1ccon1
InChIInChI=1S/C13H11BrN4O/c1-8(11-4-5-19-18-11)17-13-10-6-9(14)2-3-12(10)15-7-16-13/h2-8H,1H3,(H,15,16,17)/t8-/m1/s1
InChIKeyLMFDVXZAWPIXOB-MRVPVSSYSA-N
MW319.16 g/mol
LogP3.55
Rot. Bonds3

About 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine

6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 97257160) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine
PubChem CID97257160
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1ncnc2ccc(Br)cc12)c1ccon1
InChIInChI=1S/C13H11BrN4O/c1-8(11-4-5-19-18-11)17-13-10-6-9(14)2-3-12(10)15-7-16-13/h2-8H,1H3,(H,15,16,17)/t8-/m1/s1
InChIKeyLMFDVXZAWPIXOB-MRVPVSSYSA-N
XLogP3.55
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine (CID 97257160) is 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine is C[C@@H](Nc1ncnc2ccc(Br)cc12)c1ccon1.
What is the InChIKey of 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is LMFDVXZAWPIXOB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-8(11-4-5-19-18-11)17-13-10-6-9(14)2-3-12(10)15-7-16-13/h2-8H,1H3,(H,15,16,17)/t8-/m1/s1.
What are the key properties of 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine?
6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 319.16 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 97257160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).