N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C17H17N5O3 — CID 138043909

IUPACN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCOC(C)c1noc(CN(C)c2ncnc3c2oc2ccccc23)n1
InChIInChI=1S/C17H17N5O3/c1-10(23-3)16-20-13(25-21-16)8-22(2)17-15-14(18-9-19-17)11-6-4-5-7-12(11)24-15/h4-7,9-10H,8H2,1-3H3
InChIKeyMRWAKFOIKGGCFY-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.10
Rot. Bonds5

About N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 138043909) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID138043909
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCOC(C)c1noc(CN(C)c2ncnc3c2oc2ccccc23)n1
InChIInChI=1S/C17H17N5O3/c1-10(23-3)16-20-13(25-21-16)8-22(2)17-15-14(18-9-19-17)11-6-4-5-7-12(11)24-15/h4-7,9-10H,8H2,1-3H3
InChIKeyMRWAKFOIKGGCFY-UHFFFAOYSA-N
XLogP3.10
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 138043909) is N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is COC(C)c1noc(CN(C)c2ncnc3c2oc2ccccc23)n1.
What is the InChIKey of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is MRWAKFOIKGGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10(23-3)16-20-13(25-21-16)8-22(2)17-15-14(18-9-19-17)11-6-4-5-7-12(11)24-15/h4-7,9-10H,8H2,1-3H3.
What are the key properties of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 339.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138043909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).