tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate

C18H25N3O3S — CID 7472371

IUPACtert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCC(C)Sc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H25N3O3S/c1-12(2)25-17-21-20-15(23-17)14(11-13-9-7-6-8-10-13)19-16(22)24-18(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyTZNQPBRLZYVACX-AWEZNQCLSA-N
MW363.48 g/mol
LogP4.38
Rot. Bonds6

About tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate

tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 7472371) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID7472371
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Nametert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCC(C)Sc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H25N3O3S/c1-12(2)25-17-21-20-15(23-17)14(11-13-9-7-6-8-10-13)19-16(22)24-18(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyTZNQPBRLZYVACX-AWEZNQCLSA-N
XLogP4.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 7472371) is tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is CC(C)Sc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is TZNQPBRLZYVACX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12(2)25-17-21-20-15(23-17)14(11-13-9-7-6-8-10-13)19-16(22)24-18(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,19,22)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 363.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 7472371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).