tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate

C24H28N4O4 — CID 56568370

IUPACtert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H28N4O4/c1-14(2)20-27-22(32-28-20)18-9-7-8-15(3)19(18)26-21(29)16-10-12-17(13-11-16)25-23(30)31-24(4,5)6/h7-14H,1-6H3,(H,25,30)(H,26,29)
InChIKeyWRBOTGYXPAJXCO-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.77
Rot. Bonds5

About tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate

tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate (PubChem CID 56568370) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate
PubChem CID56568370
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Nametert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H28N4O4/c1-14(2)20-27-22(32-28-20)18-9-7-8-15(3)19(18)26-21(29)16-10-12-17(13-11-16)25-23(30)31-24(4,5)6/h7-14H,1-6H3,(H,25,30)(H,26,29)
InChIKeyWRBOTGYXPAJXCO-UHFFFAOYSA-N
XLogP5.77
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

4-N-tert-butyl-1-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzene-1,4-dicarboxamide
CID 56568237
N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
CID 56568362
tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate
CID 70964240
1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 56568236
3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 56568105
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 73254044
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568465
2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568526
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
1-(4-methoxyphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 56568532
tert-butyl N-[2-[[4-[2-[di(propan-2-yl)amino]ethylcarbamoyl]benzoyl]amino]-3-methylphenyl]carbamate
CID 145482019
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate (CID 56568370) is tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate is Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate?
The InChIKey is WRBOTGYXPAJXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14(2)20-27-22(32-28-20)18-9-7-8-15(3)19(18)26-21(29)16-10-12-17(13-11-16)25-23(30)31-24(4,5)6/h7-14H,1-6H3,(H,25,30)(H,26,29).
What are the key properties of tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate has a molecular weight of 436.51 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 56568370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).