5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine

C13H13N5O2 — CID 24778165

IUPAC5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine
SMILESCc1cc(COc2cccc3nc(N)nc(N)c23)no1
InChIInChI=1S/C13H13N5O2/c1-7-5-8(18-20-7)6-19-10-4-2-3-9-11(10)12(14)17-13(15)16-9/h2-5H,6H2,1H3,(H4,14,15,16,17)
InChIKeyAMJYYVNDRSLWHA-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.67
Rot. Bonds3

About 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine

5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine (PubChem CID 24778165) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine
PubChem CID24778165
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine
SMILESCc1cc(COc2cccc3nc(N)nc(N)c23)no1
InChIInChI=1S/C13H13N5O2/c1-7-5-8(18-20-7)6-19-10-4-2-3-9-11(10)12(14)17-13(15)16-9/h2-5H,6H2,1H3,(H4,14,15,16,17)
InChIKeyAMJYYVNDRSLWHA-UHFFFAOYSA-N
XLogP1.67
TPSA113.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine (CID 24778165) is 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine is Cc1cc(COc2cccc3nc(N)nc(N)c23)no1.
What is the InChIKey of 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine?
The InChIKey is AMJYYVNDRSLWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-7-5-8(18-20-7)6-19-10-4-2-3-9-11(10)12(14)17-13(15)16-9/h2-5H,6H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine?
5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine has a molecular weight of 271.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 24778165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).