5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole

C13H17N3O3S — CID 136542746

IUPAC5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole
SMILESCC(C)n1ccnc1S(=O)(=O)Cc1cnoc1C1CC1
InChIInChI=1S/C13H17N3O3S/c1-9(2)16-6-5-14-13(16)20(17,18)8-11-7-15-19-12(11)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyBEXWVCNIXHYEBR-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.30
Rot. Bonds5

About 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole

5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole (PubChem CID 136542746) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole
PubChem CID136542746
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole
SMILESCC(C)n1ccnc1S(=O)(=O)Cc1cnoc1C1CC1
InChIInChI=1S/C13H17N3O3S/c1-9(2)16-6-5-14-13(16)20(17,18)8-11-7-15-19-12(11)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyBEXWVCNIXHYEBR-UHFFFAOYSA-N
XLogP2.30
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole (CID 136542746) is 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole is CC(C)n1ccnc1S(=O)(=O)Cc1cnoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole?
The InChIKey is BEXWVCNIXHYEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(2)16-6-5-14-13(16)20(17,18)8-11-7-15-19-12(11)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole?
5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole has a molecular weight of 295.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 136542746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).