tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate

C18H23Cl2N3O5S — CID 2024777

IUPACtert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C18H23Cl2N3O5S/c1-10(2)14(21-16(24)28-18(3,4)5)15-22-23-17(27-15)29(25,26)9-11-12(19)7-6-8-13(11)20/h6-8,10,14H,9H2,1-5H3,(H,21,24)/t14-/m0/s1
InChIKeyAUIVWPRSZLJNKR-AWEZNQCLSA-N
MW464.37 g/mol
LogP4.57
Rot. Bonds6

About tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate

tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate (PubChem CID 2024777) has the molecular formula C18H23Cl2N3O5S and a molecular weight of 464.37 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
PubChem CID2024777
Molecular FormulaC18H23Cl2N3O5S
Molecular Weight464.37 g/mol
Exact Mass463.07
IUPAC Nametert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C18H23Cl2N3O5S/c1-10(2)14(21-16(24)28-18(3,4)5)15-22-23-17(27-15)29(25,26)9-11-12(19)7-6-8-13(11)20/h6-8,10,14H,9H2,1-5H3,(H,21,24)/t14-/m0/s1
InChIKeyAUIVWPRSZLJNKR-AWEZNQCLSA-N
XLogP4.57
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate (CID 2024777) is tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1.
What is the InChIKey of tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate?
The InChIKey is AUIVWPRSZLJNKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23Cl2N3O5S/c1-10(2)14(21-16(24)28-18(3,4)5)15-22-23-17(27-15)29(25,26)9-11-12(19)7-6-8-13(11)20/h6-8,10,14H,9H2,1-5H3,(H,21,24)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate?
tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate has a molecular weight of 464.37 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate is sourced from PubChem (CID 2024777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).