tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate

C12H13ClN2O3 — CID 102538020

IUPACtert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1noc2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2O3/c1-12(2,3)17-11(16)14-10-8-6-7(13)4-5-9(8)18-15-10/h4-6H,1-3H3,(H,14,15,16)
InChIKeyZIOYSWGEHDVFNM-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.83
Rot. Bonds1

About tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate

tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate (PubChem CID 102538020) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
PubChem CID102538020
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Nametert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1noc2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2O3/c1-12(2,3)17-11(16)14-10-8-6-7(13)4-5-9(8)18-15-10/h4-6H,1-3H3,(H,14,15,16)
InChIKeyZIOYSWGEHDVFNM-UHFFFAOYSA-N
XLogP3.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(5-chloro-1,2-benzoxazol-3-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-(5-formamido-1,2-benzoxazol-3-yl)carbamate
CID 168652006
tert-butyl N-[5-(1,2,2-tricyanoethenylamino)-1,2-benzoxazol-3-yl]carbamate
CID 168609915
tert-butyl N-(6-nitro-1,2-benzoxazol-3-yl)carbamate
CID 155691162
tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate
CID 23368380
tert-butyl N-[5-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-1,2-benzoxazol-3-yl]carbamate
CID 169346051
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 144745130
tert-butyl N-[(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]carbamate
CID 164866599
tert-butyl N-[4-chloro-2-(chloromethyl)phenyl]carbamate
CID 117236568
tert-butyl N-[5-chloro-2-(hydroxymethyl)phenyl]carbamate
CID 117236586
tert-butyl N-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazol-3-yl]carbamate
CID 131747412
tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
CID 15453940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate (CID 102538020) is tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate is CC(C)(C)OC(=O)Nc1noc2ccc(Cl)cc12.
What is the InChIKey of tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate?
The InChIKey is ZIOYSWGEHDVFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-12(2,3)17-11(16)14-10-8-6-7(13)4-5-9(8)18-15-10/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate?
tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate has a molecular weight of 268.70 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate is sourced from PubChem (CID 102538020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).