N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide

C18H15FN2O4S — CID 163367383

IUPACN-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccc(F)c3o2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H15FN2O4S/c19-14-2-1-3-15-16(14)25-18(21-15)11-4-6-13(7-5-11)20-17(22)12-8-9-26(23,24)10-12/h1-7,12H,8-10H2,(H,20,22)
InChIKeyHMFXEDZLQCBVAU-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.01
Rot. Bonds3

About N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide

N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 163367383) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID163367383
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC NameN-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccc(F)c3o2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H15FN2O4S/c19-14-2-1-3-15-16(14)25-18(21-15)11-4-6-13(7-5-11)20-17(22)12-8-9-26(23,24)10-12/h1-7,12H,8-10H2,(H,20,22)
InChIKeyHMFXEDZLQCBVAU-UHFFFAOYSA-N
XLogP3.01
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide (CID 163367383) is N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide is O=C(Nc1ccc(-c2nc3cccc(F)c3o2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is HMFXEDZLQCBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-14-2-1-3-15-16(14)25-18(21-15)11-4-6-13(7-5-11)20-17(22)12-8-9-26(23,24)10-12/h1-7,12H,8-10H2,(H,20,22).
What are the key properties of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide?
N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 163367383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).