[1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate

C18H16ClN3O3 — CID 146469146

IUPAC[1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCc1nnc(CC(OC(N)=O)c2cccc(-c3ccccc3Cl)c2)o1
InChIInChI=1S/C18H16ClN3O3/c1-11-21-22-17(24-11)10-16(25-18(20)23)13-6-4-5-12(9-13)14-7-2-3-8-15(14)19/h2-9,16H,10H2,1H3,(H2,20,23)
InChIKeyPURTYLMKYNZDBW-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.08
Rot. Bonds5

About [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate

[1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (PubChem CID 146469146) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
PubChem CID146469146
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name[1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCc1nnc(CC(OC(N)=O)c2cccc(-c3ccccc3Cl)c2)o1
InChIInChI=1S/C18H16ClN3O3/c1-11-21-22-17(24-11)10-16(25-18(20)23)13-6-4-5-12(9-13)14-7-2-3-8-15(14)19/h2-9,16H,10H2,1H3,(H2,20,23)
InChIKeyPURTYLMKYNZDBW-UHFFFAOYSA-N
XLogP4.08
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The IUPAC name of [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (CID 146469146) is [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.
What is the SMILES notation for [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The canonical SMILES for [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is Cc1nnc(CC(OC(N)=O)c2cccc(-c3ccccc3Cl)c2)o1.
What is the InChIKey of [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The InChIKey is PURTYLMKYNZDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11-21-22-17(24-11)10-16(25-18(20)23)13-6-4-5-12(9-13)14-7-2-3-8-15(14)19/h2-9,16H,10H2,1H3,(H2,20,23).
What are the key properties of [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
[1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate has a molecular weight of 357.80 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-chlorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 146469146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).