3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride

C11H16FN3O4S — CID 166410739

IUPAC3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride
SMILESCCc1noc(C)c1C(=O)NCC1CN(S(=O)(=O)F)C1
InChIInChI=1S/C11H16FN3O4S/c1-3-9-10(7(2)19-14-9)11(16)13-4-8-5-15(6-8)20(12,17)18/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyYSBMTXIHQCRPPZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.42
Rot. Bonds5

About 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride

3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride (PubChem CID 166410739) has the molecular formula C11H16FN3O4S and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride
PubChem CID166410739
Molecular FormulaC11H16FN3O4S
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC Name3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride
SMILESCCc1noc(C)c1C(=O)NCC1CN(S(=O)(=O)F)C1
InChIInChI=1S/C11H16FN3O4S/c1-3-9-10(7(2)19-14-9)11(16)13-4-8-5-15(6-8)20(12,17)18/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyYSBMTXIHQCRPPZ-UHFFFAOYSA-N
XLogP0.42
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 55674939
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 75681402
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51594189
3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide
CID 74244514
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 31364787
3-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
3-[[(6-chloro-4-methylpyridine-2-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride
CID 166283467
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878
3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 6468193
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 170512213
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride?
The IUPAC name of 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride (CID 166410739) is 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride.
What is the SMILES notation for 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride?
The canonical SMILES for 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride is CCc1noc(C)c1C(=O)NCC1CN(S(=O)(=O)F)C1.
What is the InChIKey of 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride?
The InChIKey is YSBMTXIHQCRPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O4S/c1-3-9-10(7(2)19-14-9)11(16)13-4-8-5-15(6-8)20(12,17)18/h8H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride?
3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride has a molecular weight of 305.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride is sourced from PubChem (CID 166410739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).