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

C19H15ClF3N3O3 — CID 146469101

IUPAC[1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCc1nnc(CC(OC(N)=O)c2cccc(-c3ccc(Cl)cc3C(F)(F)F)c2)o1
InChIInChI=1S/C19H15ClF3N3O3/c1-10-25-26-17(28-10)9-16(29-18(24)27)12-4-2-3-11(7-12)14-6-5-13(20)8-15(14)19(21,22)23/h2-8,16H,9H2,1H3,(H2,24,27)
InChIKeyFRJMEYPWTPQRKV-UHFFFAOYSA-N
MW425.79 g/mol
LogP5.10
Rot. Bonds5

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

[1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (PubChem CID 146469101) has the molecular formula C19H15ClF3N3O3 and a molecular weight of 425.79 g/mol. Its IUPAC name is [1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
PubChem CID146469101
Molecular FormulaC19H15ClF3N3O3
Molecular Weight425.79 g/mol
Exact Mass425.08
IUPAC Name[1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCc1nnc(CC(OC(N)=O)c2cccc(-c3ccc(Cl)cc3C(F)(F)F)c2)o1
InChIInChI=1S/C19H15ClF3N3O3/c1-10-25-26-17(28-10)9-16(29-18(24)27)12-4-2-3-11(7-12)14-6-5-13(20)8-15(14)19(21,22)23/h2-8,16H,9H2,1H3,(H2,24,27)
InChIKeyFRJMEYPWTPQRKV-UHFFFAOYSA-N
XLogP5.10
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.79
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The IUPAC name of [1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (CID 146469101) is [1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.
What is the SMILES notation for [1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The canonical SMILES for [1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is Cc1nnc(CC(OC(N)=O)c2cccc(-c3ccc(Cl)cc3C(F)(F)F)c2)o1.
What is the InChIKey of [1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The InChIKey is FRJMEYPWTPQRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3/c1-10-25-26-17(28-10)9-16(29-18(24)27)12-4-2-3-11(7-12)14-6-5-13(20)8-15(14)19(21,22)23/h2-8,16H,9H2,1H3,(H2,24,27).
What are the key properties of [1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
[1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate has a molecular weight of 425.79 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 146469101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).