N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine

C15H26N4O3S — CID 5047254

IUPACN,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
SMILESCCCN1CCN(S(=O)(=O)c2c(C)noc2C=CN(C)C)CC1
InChIInChI=1S/C15H26N4O3S/c1-5-7-18-9-11-19(12-10-18)23(20,21)15-13(2)16-22-14(15)6-8-17(3)4/h6,8H,5,7,9-12H2,1-4H3
InChIKeyIJJBGUZRYLMGJA-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.23
Rot. Bonds6

About N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine

N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine (PubChem CID 5047254) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
PubChem CID5047254
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
SMILESCCCN1CCN(S(=O)(=O)c2c(C)noc2C=CN(C)C)CC1
InChIInChI=1S/C15H26N4O3S/c1-5-7-18-9-11-19(12-10-18)23(20,21)15-13(2)16-22-14(15)6-8-17(3)4/h6,8H,5,7,9-12H2,1-4H3
InChIKeyIJJBGUZRYLMGJA-UHFFFAOYSA-N
XLogP1.23
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
CID 5047252
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
CID 47120907
4-[4-(3-methoxypropyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113073445
1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 5308588
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 95088619
1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 5309162
[(3R)-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]-(4-propylpiperazin-1-yl)methanone
CID 92887197
(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 94243888
N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide
CID 3244992
5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 20969549
1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine
CID 105357945
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
The IUPAC name of N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine (CID 5047254) is N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine.
What is the SMILES notation for N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
The canonical SMILES for N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine is CCCN1CCN(S(=O)(=O)c2c(C)noc2C=CN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
The InChIKey is IJJBGUZRYLMGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-5-7-18-9-11-19(12-10-18)23(20,21)15-13(2)16-22-14(15)6-8-17(3)4/h6,8H,5,7,9-12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine has a molecular weight of 342.47 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine is sourced from PubChem (CID 5047254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).