2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole

C7H5ClN2O2 — CID 114771038

IUPAC2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(Cl)o1
InChIInChI=1S/C7H5ClN2O2/c1-4-5(2-3-11-4)6-9-10-7(8)12-6/h2-3H,1H3
InChIKeyXVVQTPHRKCWXFL-UHFFFAOYSA-N
MW184.58 g/mol
LogP2.29
Rot. Bonds1

About 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole

2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (PubChem CID 114771038) has the molecular formula C7H5ClN2O2 and a molecular weight of 184.58 g/mol. Its IUPAC name is 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
PubChem CID114771038
Molecular FormulaC7H5ClN2O2
Molecular Weight184.58 g/mol
Exact Mass184.00
IUPAC Name2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(Cl)o1
InChIInChI=1S/C7H5ClN2O2/c1-4-5(2-3-11-4)6-9-10-7(8)12-6/h2-3H,1H3
InChIKeyXVVQTPHRKCWXFL-UHFFFAOYSA-N
XLogP2.29
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (CID 114771038) is 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is Cc1occc1-c1nnc(Cl)o1.
What is the InChIKey of 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is XVVQTPHRKCWXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2/c1-4-5(2-3-11-4)6-9-10-7(8)12-6/h2-3H,1H3.
What are the key properties of 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 184.58 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).