[3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone

C19H19N3O3 — CID 50966866

IUPAC[3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESCc1cc(COc2ccccc2)oc1C(=O)N1CC(n2cccn2)C1
InChIInChI=1S/C19H19N3O3/c1-14-10-17(13-24-16-6-3-2-4-7-16)25-18(14)19(23)21-11-15(12-21)22-9-5-8-20-22/h2-10,15H,11-13H2,1H3
InChIKeyGOZDQNHPCQDXBV-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.06
Rot. Bonds5

About [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone

[3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone (PubChem CID 50966866) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
PubChem CID50966866
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESCc1cc(COc2ccccc2)oc1C(=O)N1CC(n2cccn2)C1
InChIInChI=1S/C19H19N3O3/c1-14-10-17(13-24-16-6-3-2-4-7-16)25-18(14)19(23)21-11-15(12-21)22-9-5-8-20-22/h2-10,15H,11-13H2,1H3
InChIKeyGOZDQNHPCQDXBV-UHFFFAOYSA-N
XLogP3.06
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The IUPAC name of [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone (CID 50966866) is [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The canonical SMILES for [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone is Cc1cc(COc2ccccc2)oc1C(=O)N1CC(n2cccn2)C1.
What is the InChIKey of [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The InChIKey is GOZDQNHPCQDXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14-10-17(13-24-16-6-3-2-4-7-16)25-18(14)19(23)21-11-15(12-21)22-9-5-8-20-22/h2-10,15H,11-13H2,1H3.
What are the key properties of [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
[3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(phenoxymethyl)furan-2-yl]-(3-pyrazol-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 50966866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).