tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid

C18H23N3O5S — CID 69264944

IUPACtert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CC1(Cc1ncoc1-c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C18H23N3O5S/c1-17(2,3)21(16(22)23)14-10-18(14,27(19,24)25)9-13-15(26-11-20-13)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,22,23)(H2,19,24,25)
InChIKeyAXTAOYPCLVBYIL-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.46
Rot. Bonds5

About tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid

tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid (PubChem CID 69264944) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid
PubChem CID69264944
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Nametert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CC1(Cc1ncoc1-c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C18H23N3O5S/c1-17(2,3)21(16(22)23)14-10-18(14,27(19,24)25)9-13-15(26-11-20-13)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,22,23)(H2,19,24,25)
InChIKeyAXTAOYPCLVBYIL-UHFFFAOYSA-N
XLogP2.46
TPSA126.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid (CID 69264944) is tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid is CC(C)(C)N(C(=O)O)C1CC1(Cc1ncoc1-c1ccccc1)S(N)(=O)=O.
What is the InChIKey of tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid?
The InChIKey is AXTAOYPCLVBYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-17(2,3)21(16(22)23)14-10-18(14,27(19,24)25)9-13-15(26-11-20-13)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,22,23)(H2,19,24,25).
What are the key properties of tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid?
tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid has a molecular weight of 393.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-2-sulfamoylcyclopropyl]carbamic acid is sourced from PubChem (CID 69264944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).