3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole

C13H17N3O4S — CID 53085838

IUPAC3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)on1
InChIInChI=1S/C13H17N3O4S/c1-10-9-12(20-14-10)11-3-4-13(19-11)21(17,18)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3
InChIKeyUAEHKYJJGFFAHC-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.18
Rot. Bonds3

About 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole

3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole (PubChem CID 53085838) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole
PubChem CID53085838
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)on1
InChIInChI=1S/C13H17N3O4S/c1-10-9-12(20-14-10)11-3-4-13(19-11)21(17,18)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3
InChIKeyUAEHKYJJGFFAHC-UHFFFAOYSA-N
XLogP1.18
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-4-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 131915054
3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole
CID 95073599
N-[(2R)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073597
N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073598
(3aS,6aS)-N-(cyclopropylmethyl)-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 170510083
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
CID 116868998
N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085799
5-[4-(azepan-1-ylsulfonyl)-3-methylphenyl]-3-methyl-1,2-oxazole
CID 53094978
formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 171322623
3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51053850
3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole
CID 45495766
5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 20936312

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole (CID 53085838) is 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole is Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)on1.
What is the InChIKey of 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole?
The InChIKey is UAEHKYJJGFFAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-10-9-12(20-14-10)11-3-4-13(19-11)21(17,18)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole?
3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole has a molecular weight of 311.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole is sourced from PubChem (CID 53085838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).