butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate

C16H21N3O5S — CID 2238872

IUPACbutyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C16H21N3O5S/c1-4-5-10-23-16(20)17-13-6-8-14(9-7-13)25(21,22)19-15-11(2)12(3)18-24-15/h6-9,19H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyYSNJIMUFSMNGQJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.44
Rot. Bonds7

About butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate

butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate (PubChem CID 2238872) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
PubChem CID2238872
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Namebutyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C16H21N3O5S/c1-4-5-10-23-16(20)17-13-6-8-14(9-7-13)25(21,22)19-15-11(2)12(3)18-24-15/h6-9,19H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyYSNJIMUFSMNGQJ-UHFFFAOYSA-N
XLogP3.44
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate?
The IUPAC name of butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate (CID 2238872) is butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate is CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate?
The InChIKey is YSNJIMUFSMNGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-4-5-10-23-16(20)17-13-6-8-14(9-7-13)25(21,22)19-15-11(2)12(3)18-24-15/h6-9,19H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate?
butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate has a molecular weight of 367.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 2238872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).