1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide

C13H14N2O3S — CID 22499310

IUPAC1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(Cc2ncoc2-c2ccccc2)CC1
InChIInChI=1S/C13H14N2O3S/c14-19(16,17)13(6-7-13)8-11-12(18-9-15-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,16,17)
InChIKeyIBQXKUIGLBEYTL-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.71
Rot. Bonds4

About 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide

1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide (PubChem CID 22499310) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide
PubChem CID22499310
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(Cc2ncoc2-c2ccccc2)CC1
InChIInChI=1S/C13H14N2O3S/c14-19(16,17)13(6-7-13)8-11-12(18-9-15-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,16,17)
InChIKeyIBQXKUIGLBEYTL-UHFFFAOYSA-N
XLogP1.71
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide (CID 22499310) is 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide is NS(=O)(=O)C1(Cc2ncoc2-c2ccccc2)CC1.
What is the InChIKey of 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide?
The InChIKey is IBQXKUIGLBEYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-19(16,17)13(6-7-13)8-11-12(18-9-15-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,16,17).
What are the key properties of 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide?
1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 22499310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).