N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide

C14H23N3O3S — CID 3244992

IUPACN-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C=CN(C)C)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O3S/c1-11-14(13(20-15-11)9-10-17(2)3)21(18,19)16-12-7-5-4-6-8-12/h9-10,12,16H,4-8H2,1-3H3
InChIKeySREXTSVSRFJHIF-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.13
Rot. Bonds5

About N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide

N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 3244992) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide
PubChem CID3244992
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C=CN(C)C)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O3S/c1-11-14(13(20-15-11)9-10-17(2)3)21(18,19)16-12-7-5-4-6-8-12/h9-10,12,16H,4-8H2,1-3H3
InChIKeySREXTSVSRFJHIF-UHFFFAOYSA-N
XLogP2.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 56882966
1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 5308588
N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95984012
N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
CID 5047254
5-[(E)-2-(dimethylamino)ethenyl]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 20969549
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide
CID 4521233
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113065877
N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174
(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 94243888

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide (CID 3244992) is N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide is Cc1noc(C=CN(C)C)c1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SREXTSVSRFJHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-14(13(20-15-11)9-10-17(2)3)21(18,19)16-12-7-5-4-6-8-12/h9-10,12,16H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide?
N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3244992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).