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

C8H7ClN2O2 — CID 43513112

IUPAC2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2ccoc2)o1
InChIInChI=1S/C8H7ClN2O2/c1-5(9)7-10-11-8(13-7)6-2-3-12-4-6/h2-5H,1H3
InChIKeyPOSVUBBJQCXXJH-UHFFFAOYSA-N
MW198.61 g/mol
LogP2.63
Rot. Bonds2

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

2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole (PubChem CID 43513112) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole
PubChem CID43513112
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2ccoc2)o1
InChIInChI=1S/C8H7ClN2O2/c1-5(9)7-10-11-8(13-7)6-2-3-12-4-6/h2-5H,1H3
InChIKeyPOSVUBBJQCXXJH-UHFFFAOYSA-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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Related Compounds

2-[(1R)-1-chloroethyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 86314511
1-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859130
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-pyridin-3-ylmethanethiol
CID 22300974
2-(1-chloroethyl)-5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazole
CID 43419715
2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 62958955
2-(4-butoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 43513070
2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 104785718
2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
CID 43513099
2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 16768252
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl furan-3-carboxylate
CID 46648531
2-(1-chloroethyl)-5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 82815077

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole (CID 43513112) is 2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole is CC(Cl)c1nnc(-c2ccoc2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole?
The InChIKey is POSVUBBJQCXXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c1-5(9)7-10-11-8(13-7)6-2-3-12-4-6/h2-5H,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-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 2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 43513112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).