3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one

C19H23N5O5S — CID 53075674

IUPAC3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
SMILESCCN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C19H23N5O5S/c1-2-22-7-9-23(10-8-22)30(26,27)14-5-6-15-16(11-14)28-19(25)24(15)12-17-20-18(29-21-17)13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyFOOPDLJRGUKFLD-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.23
Rot. Bonds6

About 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one (PubChem CID 53075674) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
PubChem CID53075674
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
SMILESCCN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C19H23N5O5S/c1-2-22-7-9-23(10-8-22)30(26,27)14-5-6-15-16(11-14)28-19(25)24(15)12-17-20-18(29-21-17)13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyFOOPDLJRGUKFLD-UHFFFAOYSA-N
XLogP1.23
TPSA114.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 53075641
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53006821
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 53075538
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 53075563
6-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one
CID 53075446
N-(4-chlorophenyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 53075620
3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 110421389
3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-2-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 53075738
6-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one
CID 100890652
6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one
CID 53075456
3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 53075729
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 20879533

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one (CID 53075674) is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one is CCN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one?
The InChIKey is FOOPDLJRGUKFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/c1-2-22-7-9-23(10-8-22)30(26,27)14-5-6-15-16(11-14)28-19(25)24(15)12-17-20-18(29-21-17)13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3.
What are the key properties of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one?
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one has a molecular weight of 433.49 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 53075674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).