2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole

C11H12ClN2O4P — CID 176515688

IUPAC2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole
SMILESCOP(=O)(Cc1nnc(-c2ccc(Cl)cc2)o1)OC
InChIInChI=1S/C11H12ClN2O4P/c1-16-19(15,17-2)7-10-13-14-11(18-10)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyRQTCSNXGQNFRPS-UHFFFAOYSA-N
MW302.65 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole (PubChem CID 176515688) has the molecular formula C11H12ClN2O4P and a molecular weight of 302.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole
PubChem CID176515688
Molecular FormulaC11H12ClN2O4P
Molecular Weight302.65 g/mol
Exact Mass302.02
IUPAC Name2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole
SMILESCOP(=O)(Cc1nnc(-c2ccc(Cl)cc2)o1)OC
InChIInChI=1S/C11H12ClN2O4P/c1-16-19(15,17-2)7-10-13-14-11(18-10)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyRQTCSNXGQNFRPS-UHFFFAOYSA-N
XLogP3.38
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.65
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
2-[di(propan-2-yloxy)phosphorylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 176515717
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoate
CID 75510883
2-(4-chlorophenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 27920170
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutan-1-amine
CID 110652439
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
CID 24608900
2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7695649

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole (CID 176515688) is 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole is COP(=O)(Cc1nnc(-c2ccc(Cl)cc2)o1)OC.
What is the InChIKey of 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole?
The InChIKey is RQTCSNXGQNFRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN2O4P/c1-16-19(15,17-2)7-10-13-14-11(18-10)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole has a molecular weight of 302.65 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 176515688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).