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

C16H21N3O4 — CID 86950816

IUPAC[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
SMILESCCC(O)CN1CCN(C(=O)c2ncoc2-c2ccco2)CC1
InChIInChI=1S/C16H21N3O4/c1-2-12(20)10-18-5-7-19(8-6-18)16(21)14-15(23-11-17-14)13-4-3-9-22-13/h3-4,9,11-12,20H,2,5-8,10H2,1H3
InChIKeyOCWNKUJRFJNVJY-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.46
Rot. Bonds5

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

[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone (PubChem CID 86950816) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
PubChem CID86950816
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
SMILESCCC(O)CN1CCN(C(=O)c2ncoc2-c2ccco2)CC1
InChIInChI=1S/C16H21N3O4/c1-2-12(20)10-18-5-7-19(8-6-18)16(21)14-15(23-11-17-14)13-4-3-9-22-13/h3-4,9,11-12,20H,2,5-8,10H2,1H3
InChIKeyOCWNKUJRFJNVJY-UHFFFAOYSA-N
XLogP1.46
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 86950986
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 86957724
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95613158
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95312025
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326170
[4-[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 86950754
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
CID 71875566
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95613262
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
CID 71783165
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95351719
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95613064

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone (CID 86950816) is [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone is CCC(O)CN1CCN(C(=O)c2ncoc2-c2ccco2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The InChIKey is OCWNKUJRFJNVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-2-12(20)10-18-5-7-19(8-6-18)16(21)14-15(23-11-17-14)13-4-3-9-22-13/h3-4,9,11-12,20H,2,5-8,10H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone has a molecular weight of 319.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 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-hydroxybutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86950816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).