2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole

C8H11IN2OS — CID 163934845

IUPAC2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole
SMILESIN1CCC(Sc2ncco2)CC1
InChIInChI=1S/C8H11IN2OS/c9-11-4-1-7(2-5-11)13-8-10-3-6-12-8/h3,6-7H,1-2,4-5H2
InChIKeyRLUZFIQGVBWNCE-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.58
Rot. Bonds2

About 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole

2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 163934845) has the molecular formula C8H11IN2OS and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID163934845
Molecular FormulaC8H11IN2OS
Molecular Weight310.16 g/mol
Exact Mass309.96
IUPAC Name2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole
SMILESIN1CCC(Sc2ncco2)CC1
InChIInChI=1S/C8H11IN2OS/c9-11-4-1-7(2-5-11)13-8-10-3-6-12-8/h3,6-7H,1-2,4-5H2
InChIKeyRLUZFIQGVBWNCE-UHFFFAOYSA-N
XLogP2.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole (CID 163934845) is 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole is IN1CCC(Sc2ncco2)CC1.
What is the InChIKey of 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is RLUZFIQGVBWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2OS/c9-11-4-1-7(2-5-11)13-8-10-3-6-12-8/h3,6-7H,1-2,4-5H2.
What are the key properties of 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole?
2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 310.16 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodopiperidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 163934845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).