5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine

C13H12FN5O2 — CID 72865816

IUPAC5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine
SMILESCOCc1nc(CNc2ncnc3cccc(F)c23)no1
InChIInChI=1S/C13H12FN5O2/c1-20-6-11-18-10(19-21-11)5-15-13-12-8(14)3-2-4-9(12)16-7-17-13/h2-4,7H,5-6H2,1H3,(H,15,16,17)
InChIKeyCYUJJZCUHHJNFC-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.91
Rot. Bonds5

About 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine

5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine (PubChem CID 72865816) has the molecular formula C13H12FN5O2 and a molecular weight of 289.27 g/mol. Its IUPAC name is 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine
PubChem CID72865816
Molecular FormulaC13H12FN5O2
Molecular Weight289.27 g/mol
Exact Mass289.10
IUPAC Name5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine
SMILESCOCc1nc(CNc2ncnc3cccc(F)c23)no1
InChIInChI=1S/C13H12FN5O2/c1-20-6-11-18-10(19-21-11)5-15-13-12-8(14)3-2-4-9(12)16-7-17-13/h2-4,7H,5-6H2,1H3,(H,15,16,17)
InChIKeyCYUJJZCUHHJNFC-UHFFFAOYSA-N
XLogP1.91
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine (CID 72865816) is 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine is COCc1nc(CNc2ncnc3cccc(F)c23)no1.
What is the InChIKey of 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine?
The InChIKey is CYUJJZCUHHJNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2/c1-20-6-11-18-10(19-21-11)5-15-13-12-8(14)3-2-4-9(12)16-7-17-13/h2-4,7H,5-6H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine?
5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine has a molecular weight of 289.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 72865816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).