N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C13H25N3O3S — CID 3801195

IUPACN-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN(CC)CCN(CC)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C13H25N3O3S/c1-6-15(7-2)9-10-16(8-3)20(17,18)13-11(4)14-19-12(13)5/h6-10H2,1-5H3
InChIKeyZCCNFCPYJHXNCY-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.64
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3801195) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3801195
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN(CC)CCN(CC)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C13H25N3O3S/c1-6-15(7-2)9-10-16(8-3)20(17,18)13-11(4)14-19-12(13)5/h6-10H2,1-5H3
InChIKeyZCCNFCPYJHXNCY-UHFFFAOYSA-N
XLogP1.64
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 4750113
3,5-Dimethylisoxazole-4-sulfonyl chloride
CID 2736319
3,5-Dimethylisoxazole-4-sulfonamide
CID 4962303
1-((3,5-Dimethylisoxazol-4-yl)sulfonyl)piperidine-4-carboxamide
CID 2812753
2-Chloro-1-{4-[(dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl}ethan-1-one
CID 16227197
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethylmethanimidamide
CID 9583533
4-(2-Ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
CID 47104037
3,5-Dimethyl-4-((4-methyl-[1,4'-bipiperidin]-1'-yl)sulfonyl)isoxazole
CID 118308370
4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine
CID 2805725
3,5-Dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole
CID 2805726
1-[(Dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine hydrochloride
CID 46743491
1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidine
CID 2741503

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3801195) is N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCN(CC)CCN(CC)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZCCNFCPYJHXNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-6-15(7-2)9-10-16(8-3)20(17,18)13-11(4)14-19-12(13)5/h6-10H2,1-5H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3801195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).