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

C14H14FN5O2 — CID 72858569

IUPAC7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine
SMILESCOCc1noc(CCNc2ncnc3cc(F)ccc23)n1
InChIInChI=1S/C14H14FN5O2/c1-21-7-12-19-13(22-20-12)4-5-16-14-10-3-2-9(15)6-11(10)17-8-18-14/h2-3,6,8H,4-5,7H2,1H3,(H,16,17,18)
InChIKeyVCNYRZVLCWDUOZ-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.95
Rot. Bonds6

About 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine

7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine (PubChem CID 72858569) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine
PubChem CID72858569
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine
SMILESCOCc1noc(CCNc2ncnc3cc(F)ccc23)n1
InChIInChI=1S/C14H14FN5O2/c1-21-7-12-19-13(22-20-12)4-5-16-14-10-3-2-9(15)6-11(10)17-8-18-14/h2-3,6,8H,4-5,7H2,1H3,(H,16,17,18)
InChIKeyVCNYRZVLCWDUOZ-UHFFFAOYSA-N
XLogP1.95
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine?
The IUPAC name of 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine (CID 72858569) is 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine?
The canonical SMILES for 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine is COCc1noc(CCNc2ncnc3cc(F)ccc23)n1.
What is the InChIKey of 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine?
The InChIKey is VCNYRZVLCWDUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c1-21-7-12-19-13(22-20-12)4-5-16-14-10-3-2-9(15)6-11(10)17-8-18-14/h2-3,6,8H,4-5,7H2,1H3,(H,16,17,18).
What are the key properties of 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine?
7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine has a molecular weight of 303.30 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 72858569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).