[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone

C17H23N3O4 — CID 71875566

IUPAC[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
SMILESCCC1CN(C(=O)c2ncoc2-c2ccco2)CCN1CCOC
InChIInChI=1S/C17H23N3O4/c1-3-13-11-20(7-6-19(13)8-10-22-2)17(21)15-16(24-12-18-15)14-5-4-9-23-14/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3
InChIKeyAOHWUXYPBPZQNW-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.12
Rot. Bonds6

About [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone

[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone (PubChem CID 71875566) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
PubChem CID71875566
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
SMILESCCC1CN(C(=O)c2ncoc2-c2ccco2)CCN1CCOC
InChIInChI=1S/C17H23N3O4/c1-3-13-11-20(7-6-19(13)8-10-22-2)17(21)15-16(24-12-18-15)14-5-4-9-23-14/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3
InChIKeyAOHWUXYPBPZQNW-UHFFFAOYSA-N
XLogP2.12
TPSA71.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone (CID 71875566) is [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone is CCC1CN(C(=O)c2ncoc2-c2ccco2)CCN1CCOC.
What is the InChIKey of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone?
The InChIKey is AOHWUXYPBPZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-13-11-20(7-6-19(13)8-10-22-2)17(21)15-16(24-12-18-15)14-5-4-9-23-14/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3.
What are the key properties of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone?
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 71875566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).