N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

C14H18N6O2 — CID 70743641

IUPACN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCc2nc(COC)no2)n2nccc2n1
InChIInChI=1S/C14H18N6O2/c1-3-4-10-7-13(20-12(17-10)5-6-16-20)15-8-14-18-11(9-21-2)19-22-14/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyXVEXJDUSFKDEHF-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.82
Rot. Bonds7

About N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70743641) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70743641
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCc2nc(COC)no2)n2nccc2n1
InChIInChI=1S/C14H18N6O2/c1-3-4-10-7-13(20-12(17-10)5-6-16-20)15-8-14-18-11(9-21-2)19-22-14/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyXVEXJDUSFKDEHF-UHFFFAOYSA-N
XLogP1.82
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70743641) is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCc2nc(COC)no2)n2nccc2n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XVEXJDUSFKDEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-3-4-10-7-13(20-12(17-10)5-6-16-20)15-8-14-18-11(9-21-2)19-22-14/h5-7,15H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 302.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70743641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).