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

C16H21N3O4 — CID 74233669

IUPAC[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1CCN(Cc2ccoc2)C(CCO)C1
InChIInChI=1S/C16H21N3O4/c1-12-15(17-11-23-12)16(21)19-5-4-18(14(9-19)2-6-20)8-13-3-7-22-10-13/h3,7,10-11,14,20H,2,4-6,8-9H2,1H3
InChIKeyWWEFIPCYPYRYRF-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.29
Rot. Bonds5

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

[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 74233669) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
PubChem CID74233669
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1CCN(Cc2ccoc2)C(CCO)C1
InChIInChI=1S/C16H21N3O4/c1-12-15(17-11-23-12)16(21)19-5-4-18(14(9-19)2-6-20)8-13-3-7-22-10-13/h3,7,10-11,14,20H,2,4-6,8-9H2,1H3
InChIKeyWWEFIPCYPYRYRF-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (CID 74233669) is [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is Cc1ocnc1C(=O)N1CCN(Cc2ccoc2)C(CCO)C1.
What is the InChIKey of [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is WWEFIPCYPYRYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-12-15(17-11-23-12)16(21)19-5-4-18(14(9-19)2-6-20)8-13-3-7-22-10-13/h3,7,10-11,14,20H,2,4-6,8-9H2,1H3.
What are the key properties of [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 319.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 74233669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).