tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate

C15H20ClN3O7S — CID 23368380

IUPACtert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(COc1noc2ccc(Cl)cc12)COS(N)(=O)=O
InChIInChI=1S/C15H20ClN3O7S/c1-15(2,3)25-14(20)18-10(8-24-27(17,21)22)7-23-13-11-6-9(16)4-5-12(11)26-19-13/h4-6,10H,7-8H2,1-3H3,(H,18,20)(H2,17,21,22)
InChIKeyBVDOEAKYUPBNKJ-UHFFFAOYSA-N
MW421.86 g/mol
LogP1.97
Rot. Bonds7

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

tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate (PubChem CID 23368380) has the molecular formula C15H20ClN3O7S and a molecular weight of 421.86 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate
PubChem CID23368380
Molecular FormulaC15H20ClN3O7S
Molecular Weight421.86 g/mol
Exact Mass421.07
IUPAC Nametert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(COc1noc2ccc(Cl)cc12)COS(N)(=O)=O
InChIInChI=1S/C15H20ClN3O7S/c1-15(2,3)25-14(20)18-10(8-24-27(17,21)22)7-23-13-11-6-9(16)4-5-12(11)26-19-13/h4-6,10H,7-8H2,1-3H3,(H,18,20)(H2,17,21,22)
InChIKeyBVDOEAKYUPBNKJ-UHFFFAOYSA-N
XLogP1.97
TPSA142.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate with MolForge

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Related Compounds

[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride
CID 23368565
[3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-2-(methylamino)propyl] carbamate
CID 23368480
methyl N-[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propoxy]carbonylcarbamate
CID 23368391
tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
CID 102538020
[3-amino-4-[(5-chloro-1,2-benzoxazol-3-yl)oxy]butyl] carbamate;hydrochloride
CID 23368426
N-benzyl-1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-methoxypropan-2-amine
CID 23368527
tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
CID 15453940
3-[1-amino-2-[(5-chloro-1,2-benzoxazol-3-yl)oxy]ethyl]phenol
CID 23368377
tert-butyl (2S)-4-[3-(6-chloro-1,2-benzoxazol-3-yl)-3-oxopropyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 177219509
ethyl 3-[(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,2,4-oxadiazole-5-carboxylate
CID 135255162
(3S)-4-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2761567
5-bromo-1,2-benzoxazol-3-one;tert-butyl N-[2-[(5-bromo-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
CID 157334244

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate (CID 23368380) is tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(COc1noc2ccc(Cl)cc12)COS(N)(=O)=O.
What is the InChIKey of tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate?
The InChIKey is BVDOEAKYUPBNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O7S/c1-15(2,3)25-14(20)18-10(8-24-27(17,21)22)7-23-13-11-6-9(16)4-5-12(11)26-19-13/h4-6,10H,7-8H2,1-3H3,(H,18,20)(H2,17,21,22).
What are the key properties of tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate?
tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate has a molecular weight of 421.86 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate is sourced from PubChem (CID 23368380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).