2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole

C7H6ClN3O — CID 135778970

IUPAC2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccc[nH]2)o1
InChIInChI=1S/C7H6ClN3O/c8-4-6-10-11-7(12-6)5-2-1-3-9-5/h1-3,9H,4H2
InChIKeyFIGOSGPPNKMLFR-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.80
Rot. Bonds2

About 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole (PubChem CID 135778970) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
PubChem CID135778970
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccc[nH]2)o1
InChIInChI=1S/C7H6ClN3O/c8-4-6-10-11-7(12-6)5-2-1-3-9-5/h1-3,9H,4H2
InChIKeyFIGOSGPPNKMLFR-UHFFFAOYSA-N
XLogP1.80
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
CID 137153670
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 131123776
2-(chloromethyl)-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 16789153
2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 107949600
2-(chloromethyl)-5-(4-isocyanophenyl)-1,3,4-oxadiazole
CID 88854660
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43805456
3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-4-fluoroaniline
CID 71563604
methyl 4-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 135550309
2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 176829073
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole (CID 135778970) is 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole is ClCc1nnc(-c2ccc[nH]2)o1.
What is the InChIKey of 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
The InChIKey is FIGOSGPPNKMLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c8-4-6-10-11-7(12-6)5-2-1-3-9-5/h1-3,9H,4H2.
What are the key properties of 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole has a molecular weight of 183.60 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 135778970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).