benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate

C24H21N3O3 — CID 118722858

IUPACbenzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)c1nnc(-c2ccccc2)o1)OCc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-24(29-17-19-12-6-2-7-13-19)25-21(16-18-10-4-1-5-11-18)23-27-26-22(30-23)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,28)/t21-/m0/s1
InChIKeyMODAQCKIIMLKED-NRFANRHFSA-N
MW399.45 g/mol
LogP4.95
Rot. Bonds7

About benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate

benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 118722858) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID118722858
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Namebenzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)c1nnc(-c2ccccc2)o1)OCc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-24(29-17-19-12-6-2-7-13-19)25-21(16-18-10-4-1-5-11-18)23-27-26-22(30-23)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,28)/t21-/m0/s1
InChIKeyMODAQCKIIMLKED-NRFANRHFSA-N
XLogP4.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 118722858) is benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is O=C(N[C@@H](Cc1ccccc1)c1nnc(-c2ccccc2)o1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is MODAQCKIIMLKED-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-24(29-17-19-12-6-2-7-13-19)25-21(16-18-10-4-1-5-11-18)23-27-26-22(30-23)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,28)/t21-/m0/s1.
What are the key properties of benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 399.45 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 118722858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).