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

C18H24N4O3S — CID 5307865

IUPAC(E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
SMILESCc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-15-18(17(25-19-15)9-10-20(2)3)26(23,24)22-13-11-21(12-14-22)16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3/b10-9+
InChIKeyGKHJQSMCPZTCKJ-MDZDMXLPSA-N
MW376.48 g/mol
LogP2.03
Rot. Bonds5

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

(E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine (PubChem CID 5307865) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
PubChem CID5307865
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name(E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
SMILESCc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-15-18(17(25-19-15)9-10-20(2)3)26(23,24)22-13-11-21(12-14-22)16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3/b10-9+
InChIKeyGKHJQSMCPZTCKJ-MDZDMXLPSA-N
XLogP2.03
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
The IUPAC name of (E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine (CID 5307865) is (E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine.
What is the SMILES notation for (E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
The canonical SMILES for (E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine is Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
The InChIKey is GKHJQSMCPZTCKJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-15-18(17(25-19-15)9-10-20(2)3)26(23,24)22-13-11-21(12-14-22)16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3/b10-9+.
What are the key properties of (E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
(E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine has a molecular weight of 376.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-[3-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine is sourced from PubChem (CID 5307865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).