[3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine

C15H17N3O3 — CID 117463577

IUPAC[3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2c3c(cc4c2OCCC4)OCCC3)no1
InChIInChI=1S/C15H17N3O3/c16-8-12-17-15(18-21-12)13-10-4-2-5-19-11(10)7-9-3-1-6-20-14(9)13/h7H,1-6,8,16H2
InChIKeyHCOOWONQGUEATD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.85
Rot. Bonds2

About [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117463577) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117463577
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2c3c(cc4c2OCCC4)OCCC3)no1
InChIInChI=1S/C15H17N3O3/c16-8-12-17-15(18-21-12)13-10-4-2-5-19-11(10)7-9-3-1-6-20-14(9)13/h7H,1-6,8,16H2
InChIKeyHCOOWONQGUEATD-UHFFFAOYSA-N
XLogP1.85
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117463577) is [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2c3c(cc4c2OCCC4)OCCC3)no1.
What is the InChIKey of [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is HCOOWONQGUEATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-8-12-17-15(18-21-12)13-10-4-2-5-19-11(10)7-9-3-1-6-20-14(9)13/h7H,1-6,8,16H2.
What are the key properties of [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117463577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).