(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate

C22H16N2O4S — CID 55538730

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1)c1cccs1
InChIInChI=1S/C22H16N2O4S/c25-21(20-11-6-12-29-20)23-18-10-5-4-9-17(18)22(26)27-14-16-13-19(28-24-16)15-7-2-1-3-8-15/h1-13H,14H2,(H,23,25)
InChIKeyLSNVERCVRNQUMK-UHFFFAOYSA-N
MW404.45 g/mol
LogP5.01
Rot. Bonds6

About (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate

(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate (PubChem CID 55538730) has the molecular formula C22H16N2O4S and a molecular weight of 404.45 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
PubChem CID55538730
Molecular FormulaC22H16N2O4S
Molecular Weight404.45 g/mol
Exact Mass404.08
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1)c1cccs1
InChIInChI=1S/C22H16N2O4S/c25-21(20-11-6-12-29-20)23-18-10-5-4-9-17(18)22(26)27-14-16-13-19(28-24-16)15-7-2-1-3-8-15/h1-13H,14H2,(H,23,25)
InChIKeyLSNVERCVRNQUMK-UHFFFAOYSA-N
XLogP5.01
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530422
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
CID 55554169
(5-phenyl-1,2-oxazol-3-yl)methyl (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 9491108
(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 9063187
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 8749702
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
CID 8809666
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-fluorobenzoate
CID 8987480
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55538058

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate (CID 55538730) is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate is O=C(Nc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1)c1cccs1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate?
The InChIKey is LSNVERCVRNQUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4S/c25-21(20-11-6-12-29-20)23-18-10-5-4-9-17(18)22(26)27-14-16-13-19(28-24-16)15-7-2-1-3-8-15/h1-13H,14H2,(H,23,25).
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate has a molecular weight of 404.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 55538730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).