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

C15H19N3O4 — CID 86950986

IUPAC[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ncoc2-c2ccco2)CC1
InChIInChI=1S/C15H19N3O4/c1-20-10-8-17-4-6-18(7-5-17)15(19)13-14(22-11-16-13)12-3-2-9-21-12/h2-3,9,11H,4-8,10H2,1H3
InChIKeyQVHPJWYHRKXUFP-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.34
Rot. Bonds5

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

[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 86950986) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID86950986
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ncoc2-c2ccco2)CC1
InChIInChI=1S/C15H19N3O4/c1-20-10-8-17-4-6-18(7-5-17)15(19)13-14(22-11-16-13)12-3-2-9-21-12/h2-3,9,11H,4-8,10H2,1H3
InChIKeyQVHPJWYHRKXUFP-UHFFFAOYSA-N
XLogP1.34
TPSA71.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 86950986) is [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)c2ncoc2-c2ccco2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is QVHPJWYHRKXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-20-10-8-17-4-6-18(7-5-17)15(19)13-14(22-11-16-13)12-3-2-9-21-12/h2-3,9,11H,4-8,10H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 305.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86950986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).