tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate

C25H26N6O4S — CID 135269854

IUPACtert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[S@](=O)c1ccccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C25H26N6O4S/c1-25(2,3)35-24(32)27-13-14-36(33)19-12-8-7-11-17(19)18-15-28-21(26)20(29-18)23-31-30-22(34-23)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H2,26,28)(H,27,32)/t36-/m0/s1
InChIKeyCSJHTLRIASQHRL-BHVANESWSA-N
MW506.59 g/mol
LogP4.08
Rot. Bonds7

About tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate

tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate (PubChem CID 135269854) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate
PubChem CID135269854
Molecular FormulaC25H26N6O4S
Molecular Weight506.59 g/mol
Exact Mass506.17
IUPAC Nametert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[S@](=O)c1ccccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C25H26N6O4S/c1-25(2,3)35-24(32)27-13-14-36(33)19-12-8-7-11-17(19)18-15-28-21(26)20(29-18)23-31-30-22(34-23)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H2,26,28)(H,27,32)/t36-/m0/s1
InChIKeyCSJHTLRIASQHRL-BHVANESWSA-N
XLogP4.08
TPSA146.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]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-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate (CID 135269854) is tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate is CC(C)(C)OC(=O)NCC[S@](=O)c1ccccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate?
The InChIKey is CSJHTLRIASQHRL-BHVANESWSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-25(2,3)35-24(32)27-13-14-36(33)19-12-8-7-11-17(19)18-15-28-21(26)20(29-18)23-31-30-22(34-23)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H2,26,28)(H,27,32)/t36-/m0/s1.
What are the key properties of tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate?
tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate has a molecular weight of 506.59 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate is sourced from PubChem (CID 135269854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).