furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C17H21N3O3 — CID 134074970

IUPACfuran-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCn1cc(C2COC3(CCCN(C(=O)c4ccoc4)C3)C2)cn1
InChIInChI=1S/C17H21N3O3/c1-19-9-15(8-18-19)14-7-17(23-11-14)4-2-5-20(12-17)16(21)13-3-6-22-10-13/h3,6,8-10,14H,2,4-5,7,11-12H2,1H3
InChIKeyRYFCNKOXKJLZCZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.19
Rot. Bonds2

About furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 134074970) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID134074970
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namefuran-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCn1cc(C2COC3(CCCN(C(=O)c4ccoc4)C3)C2)cn1
InChIInChI=1S/C17H21N3O3/c1-19-9-15(8-18-19)14-7-17(23-11-14)4-2-5-20(12-17)16(21)13-3-6-22-10-13/h3,6,8-10,14H,2,4-5,7,11-12H2,1H3
InChIKeyRYFCNKOXKJLZCZ-UHFFFAOYSA-N
XLogP2.19
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 134074970) is furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cn1cc(C2COC3(CCCN(C(=O)c4ccoc4)C3)C2)cn1.
What is the InChIKey of furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is RYFCNKOXKJLZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-9-15(8-18-19)14-7-17(23-11-14)4-2-5-20(12-17)16(21)13-3-6-22-10-13/h3,6,8-10,14H,2,4-5,7,11-12H2,1H3.
What are the key properties of furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 315.37 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 134074970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).