5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole

C19H21N3O — CID 10357869

IUPAC5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole
SMILESc1ccc(CN2CCC(n3cccc3-c3cnco3)CC2)cc1
InChIInChI=1S/C19H21N3O/c1-2-5-16(6-3-1)14-21-11-8-17(9-12-21)22-10-4-7-18(22)19-13-20-15-23-19/h1-7,10,13,15,17H,8-9,11-12,14H2
InChIKeyJTHXHSNJAJMWTQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.98
Rot. Bonds4

About 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole

5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole (PubChem CID 10357869) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole
PubChem CID10357869
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole
SMILESc1ccc(CN2CCC(n3cccc3-c3cnco3)CC2)cc1
InChIInChI=1S/C19H21N3O/c1-2-5-16(6-3-1)14-21-11-8-17(9-12-21)22-10-4-7-18(22)19-13-20-15-23-19/h1-7,10,13,15,17H,8-9,11-12,14H2
InChIKeyJTHXHSNJAJMWTQ-UHFFFAOYSA-N
XLogP3.98
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole?
The IUPAC name of 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole (CID 10357869) is 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole?
The canonical SMILES for 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole is c1ccc(CN2CCC(n3cccc3-c3cnco3)CC2)cc1.
What is the InChIKey of 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole?
The InChIKey is JTHXHSNJAJMWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-5-16(6-3-1)14-21-11-8-17(9-12-21)22-10-4-7-18(22)19-13-20-15-23-19/h1-7,10,13,15,17H,8-9,11-12,14H2.
What are the key properties of 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole?
5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole has a molecular weight of 307.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzylpiperidin-4-yl)pyrrol-2-yl]-1,3-oxazole is sourced from PubChem (CID 10357869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).