(E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine

C16H19N3O3S — CID 5308093

IUPAC(E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine
SMILESCc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C16H19N3O3S/c1-12-16(15(22-17-12)9-10-18(2)3)23(20,21)19-11-8-13-6-4-5-7-14(13)19/h4-7,9-10H,8,11H2,1-3H3/b10-9+
InChIKeyDCQKRYGEPWLIPY-MDZDMXLPSA-N
MW333.41 g/mol
LogP2.27
Rot. Bonds4

About (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine

(E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine (PubChem CID 5308093) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine
PubChem CID5308093
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine
SMILESCc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C16H19N3O3S/c1-12-16(15(22-17-12)9-10-18(2)3)23(20,21)19-11-8-13-6-4-5-7-14(13)19/h4-7,9-10H,8,11H2,1-3H3/b10-9+
InChIKeyDCQKRYGEPWLIPY-MDZDMXLPSA-N
XLogP2.27
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine?
The IUPAC name of (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine (CID 5308093) is (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine is Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine?
The InChIKey is DCQKRYGEPWLIPY-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-16(15(22-17-12)9-10-18(2)3)23(20,21)19-11-8-13-6-4-5-7-14(13)19/h4-7,9-10H,8,11H2,1-3H3/b10-9+.
What are the key properties of (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine?
(E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine has a molecular weight of 333.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine is sourced from PubChem (CID 5308093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).