N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide

C16H21FN2O3S — CID 110641283

IUPACN-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1nc(-c2ccccc2F)oc1C
InChIInChI=1S/C16H21FN2O3S/c1-3-4-11-23(20,21)18-10-9-15-12(2)22-16(19-15)13-7-5-6-8-14(13)17/h5-8,18H,3-4,9-11H2,1-2H3
InChIKeyRIFAZRMXLWJLDP-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.05
Rot. Bonds8

About N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide

N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide (PubChem CID 110641283) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
PubChem CID110641283
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1nc(-c2ccccc2F)oc1C
InChIInChI=1S/C16H21FN2O3S/c1-3-4-11-23(20,21)18-10-9-15-12(2)22-16(19-15)13-7-5-6-8-14(13)17/h5-8,18H,3-4,9-11H2,1-2H3
InChIKeyRIFAZRMXLWJLDP-UHFFFAOYSA-N
XLogP3.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide
CID 110641282
4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide
CID 110415379
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide
CID 110415378
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641223
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
CID 110641335
3-chloro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641258
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110641168
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
4-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzaldehyde
CID 10758402
1-(2-chlorophenyl)-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]methanesulfonamide
CID 110641069
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 20860849

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide (CID 110641283) is N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1nc(-c2ccccc2F)oc1C.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide?
The InChIKey is RIFAZRMXLWJLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-3-4-11-23(20,21)18-10-9-15-12(2)22-16(19-15)13-7-5-6-8-14(13)17/h5-8,18H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide?
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide has a molecular weight of 340.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110641283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).