2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole

C19H21N3O2 — CID 71624769

IUPAC2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole
SMILESCc1ccc(CN2CCN(c3ccc(-c4ncco4)cc3)CC2)o1
InChIInChI=1S/C19H21N3O2/c1-15-2-7-18(24-15)14-21-9-11-22(12-10-21)17-5-3-16(4-6-17)19-20-8-13-23-19/h2-8,13H,9-12,14H2,1H3
InChIKeyXLTNAGBYJGLKKA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.57
Rot. Bonds4

About 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole

2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole (PubChem CID 71624769) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole
PubChem CID71624769
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole
SMILESCc1ccc(CN2CCN(c3ccc(-c4ncco4)cc3)CC2)o1
InChIInChI=1S/C19H21N3O2/c1-15-2-7-18(24-15)14-21-9-11-22(12-10-21)17-5-3-16(4-6-17)19-20-8-13-23-19/h2-8,13H,9-12,14H2,1H3
InChIKeyXLTNAGBYJGLKKA-UHFFFAOYSA-N
XLogP3.57
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole (CID 71624769) is 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole is Cc1ccc(CN2CCN(c3ccc(-c4ncco4)cc3)CC2)o1.
What is the InChIKey of 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole?
The InChIKey is XLTNAGBYJGLKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15-2-7-18(24-15)14-21-9-11-22(12-10-21)17-5-3-16(4-6-17)19-20-8-13-23-19/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole?
2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole has a molecular weight of 323.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 71624769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).