N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine

C15H16FN5O2 — CID 71995952

IUPACN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine
SMILESCCOC(C)c1noc(CNc2ncnc3ccc(F)cc23)n1
InChIInChI=1S/C15H16FN5O2/c1-3-22-9(2)14-20-13(23-21-14)7-17-15-11-6-10(16)4-5-12(11)18-8-19-15/h4-6,8-9H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyBKBZMQUYHHLSPL-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.86
Rot. Bonds6

About N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine

N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine (PubChem CID 71995952) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine
PubChem CID71995952
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine
SMILESCCOC(C)c1noc(CNc2ncnc3ccc(F)cc23)n1
InChIInChI=1S/C15H16FN5O2/c1-3-22-9(2)14-20-13(23-21-14)7-17-15-11-6-10(16)4-5-12(11)18-8-19-15/h4-6,8-9H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyBKBZMQUYHHLSPL-UHFFFAOYSA-N
XLogP2.86
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine?
The IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine (CID 71995952) is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine is CCOC(C)c1noc(CNc2ncnc3ccc(F)cc23)n1.
What is the InChIKey of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine?
The InChIKey is BKBZMQUYHHLSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-3-22-9(2)14-20-13(23-21-14)7-17-15-11-6-10(16)4-5-12(11)18-8-19-15/h4-6,8-9H,3,7H2,1-2H3,(H,17,18,19).
What are the key properties of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine?
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine has a molecular weight of 317.32 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 71995952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).