2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine

C18H21N5O2 — CID 136562635

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine
SMILESCc1noc(CC(NCc2n[nH]c3c2COCC3)c2ccccc2)n1
InChIInChI=1S/C18H21N5O2/c1-12-20-18(25-23-12)9-16(13-5-3-2-4-6-13)19-10-17-14-11-24-8-7-15(14)21-22-17/h2-6,16,19H,7-11H2,1H3,(H,21,22)
InChIKeyQYRCOPOIIBQOEK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.25
Rot. Bonds6

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine

2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine (PubChem CID 136562635) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine
PubChem CID136562635
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine
SMILESCc1noc(CC(NCc2n[nH]c3c2COCC3)c2ccccc2)n1
InChIInChI=1S/C18H21N5O2/c1-12-20-18(25-23-12)9-16(13-5-3-2-4-6-13)19-10-17-14-11-24-8-7-15(14)21-22-17/h2-6,16,19H,7-11H2,1H3,(H,21,22)
InChIKeyQYRCOPOIIBQOEK-UHFFFAOYSA-N
XLogP2.25
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine (CID 136562635) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine is Cc1noc(CC(NCc2n[nH]c3c2COCC3)c2ccccc2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine?
The InChIKey is QYRCOPOIIBQOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-20-18(25-23-12)9-16(13-5-3-2-4-6-13)19-10-17-14-11-24-8-7-15(14)21-22-17/h2-6,16,19H,7-11H2,1H3,(H,21,22).
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine has a molecular weight of 339.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 136562635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).