2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

C10H8Cl2N2O — CID 43913057

IUPAC2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C(Cl)Cl)o2)c1
InChIInChI=1S/C10H8Cl2N2O/c1-6-3-2-4-7(5-6)9-13-14-10(15-9)8(11)12/h2-5,8H,1H3
InChIKeyOFRFCZYZARECLT-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.52
Rot. Bonds2

About 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 43913057) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID43913057
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C(Cl)Cl)o2)c1
InChIInChI=1S/C10H8Cl2N2O/c1-6-3-2-4-7(5-6)9-13-14-10(15-9)8(11)12/h2-5,8H,1H3
InChIKeyOFRFCZYZARECLT-UHFFFAOYSA-N
XLogP3.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
2-[(1S)-1-(4-bromophenyl)sulfanylethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 51923748
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7997692
(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
CID 8540659
4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25343436
[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640784
2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703
2-[1-(2,4-dibromophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 24670728

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 43913057) is 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc(C(Cl)Cl)o2)c1.
What is the InChIKey of 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is OFRFCZYZARECLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-6-3-2-4-7(5-6)9-13-14-10(15-9)8(11)12/h2-5,8H,1H3.
What are the key properties of 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 243.09 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43913057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).