tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate

C16H16F2N4O4 — CID 154665032

IUPACtert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O
InChIInChI=1S/C16H16F2N4O4/c1-16(2,3)26-15(24)21-22-7-9-5-4-8(6-10(9)14(22)23)12-19-20-13(25-12)11(17)18/h4-6,11H,7H2,1-3H3,(H,21,24)
InChIKeyWEFQGFUNNPFYNQ-UHFFFAOYSA-N
MW366.32 g/mol
LogP3.07
Rot. Bonds3

About tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate

tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate (PubChem CID 154665032) has the molecular formula C16H16F2N4O4 and a molecular weight of 366.32 g/mol. Its IUPAC name is tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate
PubChem CID154665032
Molecular FormulaC16H16F2N4O4
Molecular Weight366.32 g/mol
Exact Mass366.11
IUPAC Nametert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O
InChIInChI=1S/C16H16F2N4O4/c1-16(2,3)26-15(24)21-22-7-9-5-4-8(6-10(9)14(22)23)12-19-20-13(25-12)11(17)18/h4-6,11H,7H2,1-3H3,(H,21,24)
InChIKeyWEFQGFUNNPFYNQ-UHFFFAOYSA-N
XLogP3.07
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]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

tert-butyl N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]carbamate
CID 137472305
tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-N-methylcarbamate
CID 164717031
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(2,3,4,5,6-pentafluoroanilino)-3H-isoindol-1-one
CID 162511091
2-(3,4-difluoroanilino)-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3H-isoindol-1-one
CID 162510987
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2,4-difluorophenyl)ethylamino]-3H-isoindol-1-one
CID 162511004
1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 138597989
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide
CID 138598484
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2-difluoropropanamide
CID 138597928
N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,3,3,3-pentafluoropropanamide
CID 162611446
N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide
CID 162611429
[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl] azetidine-1-carboxylate
CID 137472531
[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl] azetidine-1-carboxylate
CID 138597810

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate (CID 154665032) is tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate is CC(C)(C)OC(=O)NN1Cc2ccc(-c3nnc(C(F)F)o3)cc2C1=O.
What is the InChIKey of tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate?
The InChIKey is WEFQGFUNNPFYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O4/c1-16(2,3)26-15(24)21-22-7-9-5-4-8(6-10(9)14(22)23)12-19-20-13(25-12)11(17)18/h4-6,11H,7H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate?
tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate has a molecular weight of 366.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]carbamate is sourced from PubChem (CID 154665032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).