2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride

C11H19FN2O3S — CID 154881359

IUPAC2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
SMILESCC(C)C(C)N(CCS(=O)(=O)F)Cc1ccon1
InChIInChI=1S/C11H19FN2O3S/c1-9(2)10(3)14(5-7-18(12,15)16)8-11-4-6-17-13-11/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyWTTAYTDESCEDPD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.82
Rot. Bonds7

About 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride

2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride (PubChem CID 154881359) has the molecular formula C11H19FN2O3S and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
PubChem CID154881359
Molecular FormulaC11H19FN2O3S
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
SMILESCC(C)C(C)N(CCS(=O)(=O)F)Cc1ccon1
InChIInChI=1S/C11H19FN2O3S/c1-9(2)10(3)14(5-7-18(12,15)16)8-11-4-6-17-13-11/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyWTTAYTDESCEDPD-UHFFFAOYSA-N
XLogP1.82
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1,2-oxazol-3-ylmethyl)sulfamoyl chloride
CID 165491085
N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine
CID 115869778
3-(propan-2-ylsulfonylmethyl)-1,2-oxazole
CID 20761928
2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride
CID 119330899
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71911225
N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 58166119
2-methyl-3-(1,2-oxazol-3-yl)propanal
CID 126844127
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
(1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 95351075
2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 81177250
N-methyl-2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylacetamide
CID 81176958
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 79492911

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
The IUPAC name of 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride (CID 154881359) is 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride is CC(C)C(C)N(CCS(=O)(=O)F)Cc1ccon1.
What is the InChIKey of 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
The InChIKey is WTTAYTDESCEDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3S/c1-9(2)10(3)14(5-7-18(12,15)16)8-11-4-6-17-13-11/h4,6,9-10H,5,7-8H2,1-3H3.
What are the key properties of 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride?
2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride has a molecular weight of 278.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutan-2-yl(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride is sourced from PubChem (CID 154881359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).