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

C16H16FN3O4S — CID 110660813

IUPACN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O4S/c1-9-15(11(3)24-19-9)25(21,22)20-10(2)16-18-8-14(23-16)12-4-6-13(17)7-5-12/h4-8,10,20H,1-3H3
InChIKeyHLJSSKWCVBKHHB-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.13
Rot. Bonds5

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

N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110660813) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110660813
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC NameN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O4S/c1-9-15(11(3)24-19-9)25(21,22)20-10(2)16-18-8-14(23-16)12-4-6-13(17)7-5-12/h4-8,10,20H,1-3H3
InChIKeyHLJSSKWCVBKHHB-UHFFFAOYSA-N
XLogP3.13
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110660813) is N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(C)c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is HLJSSKWCVBKHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c1-9-15(11(3)24-19-9)25(21,22)20-10(2)16-18-8-14(23-16)12-4-6-13(17)7-5-12/h4-8,10,20H,1-3H3.
What are the key properties of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 365.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110660813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).