N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C17H15N3O4S — CID 90130033

IUPACN-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc2cnoc2c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H15N3O4S/c21-17(19-14-5-2-13-11-18-24-16(13)10-14)12-3-6-15(7-4-12)20-8-1-9-25(20,22)23/h2-7,10-11H,1,8-9H2,(H,19,21)
InChIKeyGVUSMSWWTFAMGP-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.62
Rot. Bonds3

About N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 90130033) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID90130033
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc2cnoc2c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H15N3O4S/c21-17(19-14-5-2-13-11-18-24-16(13)10-14)12-3-6-15(7-4-12)20-8-1-9-25(20,22)23/h2-7,10-11H,1,8-9H2,(H,19,21)
InChIKeyGVUSMSWWTFAMGP-UHFFFAOYSA-N
XLogP2.62
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 9490505
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669414
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433819
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 134059983
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 55516148

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 90130033) is N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc2cnoc2c1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is GVUSMSWWTFAMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-17(19-14-5-2-13-11-18-24-16(13)10-14)12-3-6-15(7-4-12)20-8-1-9-25(20,22)23/h2-7,10-11H,1,8-9H2,(H,19,21).
What are the key properties of N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 357.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 90130033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).