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

C18H15ClFN3O3 — CID 146469116

IUPAC[1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCc1nnc(CC(OC(N)=O)c2cc(-c3ccc(Cl)cc3)ccc2F)o1
InChIInChI=1S/C18H15ClFN3O3/c1-10-22-23-17(25-10)9-16(26-18(21)24)14-8-12(4-7-15(14)20)11-2-5-13(19)6-3-11/h2-8,16H,9H2,1H3,(H2,21,24)
InChIKeyFMKHAWCALAEDJK-UHFFFAOYSA-N
MW375.79 g/mol
LogP4.22
Rot. Bonds5

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

[1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (PubChem CID 146469116) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is [1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
PubChem CID146469116
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Name[1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCc1nnc(CC(OC(N)=O)c2cc(-c3ccc(Cl)cc3)ccc2F)o1
InChIInChI=1S/C18H15ClFN3O3/c1-10-22-23-17(25-10)9-16(26-18(21)24)14-8-12(4-7-15(14)20)11-2-5-13(19)6-3-11/h2-8,16H,9H2,1H3,(H2,21,24)
InChIKeyFMKHAWCALAEDJK-UHFFFAOYSA-N
XLogP4.22
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate
CID 146469131
1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469152
1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469143
(1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 175569814
1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 175569810
[1-[2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamic acid
CID 146469114
[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175035515
(1S)-1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 78931134
[2,4-bis(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-bis[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]butyl]carbamic acid
CID 166664859
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 8815746
2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82125128
[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
CID 11962489

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The IUPAC name of [1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (CID 146469116) is [1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.
What is the SMILES notation for [1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The canonical SMILES for [1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is Cc1nnc(CC(OC(N)=O)c2cc(-c3ccc(Cl)cc3)ccc2F)o1.
What is the InChIKey of [1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The InChIKey is FMKHAWCALAEDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-10-22-23-17(25-10)9-16(26-18(21)24)14-8-12(4-7-15(14)20)11-2-5-13(19)6-3-11/h2-8,16H,9H2,1H3,(H2,21,24).
What are the key properties of [1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
[1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate has a molecular weight of 375.79 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 146469116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).