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

C13H15N5O2 — CID 66924103

IUPAC5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine
SMILESCC1=NOC(COc2cccc3nc(N)nc(N)c23)C1
InChIInChI=1S/C13H15N5O2/c1-7-5-8(20-18-7)6-19-10-4-2-3-9-11(10)12(14)17-13(15)16-9/h2-4,8H,5-6H2,1H3,(H4,14,15,16,17)
InChIKeyJXEPEOCKPZMARM-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.34
Rot. Bonds3

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

5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine (PubChem CID 66924103) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine
PubChem CID66924103
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine
SMILESCC1=NOC(COc2cccc3nc(N)nc(N)c23)C1
InChIInChI=1S/C13H15N5O2/c1-7-5-8(20-18-7)6-19-10-4-2-3-9-11(10)12(14)17-13(15)16-9/h2-4,8H,5-6H2,1H3,(H4,14,15,16,17)
InChIKeyJXEPEOCKPZMARM-UHFFFAOYSA-N
XLogP1.34
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine (CID 66924103) is 5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine is CC1=NOC(COc2cccc3nc(N)nc(N)c23)C1.
What is the InChIKey of 5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine?
The InChIKey is JXEPEOCKPZMARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-7-5-8(20-18-7)6-19-10-4-2-3-9-11(10)12(14)17-13(15)16-9/h2-4,8H,5-6H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine?
5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine has a molecular weight of 273.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 66924103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).