5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole

C8H7ClN2O2 — CID 28818815

IUPAC5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESC[C@@H](Cl)c1nc(-c2ccco2)no1
InChIInChI=1S/C8H7ClN2O2/c1-5(9)8-10-7(11-13-8)6-3-2-4-12-6/h2-5H,1H3/t5-/m1/s1
InChIKeyPOHJBSGNXADHRQ-RXMQYKEDSA-N
MW198.61 g/mol
LogP2.63
Rot. Bonds2

About 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole

5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 28818815) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID28818815
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESC[C@@H](Cl)c1nc(-c2ccco2)no1
InChIInChI=1S/C8H7ClN2O2/c1-5(9)8-10-7(11-13-8)6-3-2-4-12-6/h2-5H,1H3/t5-/m1/s1
InChIKeyPOHJBSGNXADHRQ-RXMQYKEDSA-N
XLogP2.63
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 28818815) is 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is C[C@@H](Cl)c1nc(-c2ccco2)no1.
What is the InChIKey of 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is POHJBSGNXADHRQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c1-5(9)8-10-7(11-13-8)6-3-2-4-12-6/h2-5H,1H3/t5-/m1/s1.
What are the key properties of 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 198.61 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-chloroethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 28818815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).