3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide

C20H22N4O6S — CID 167919342

IUPAC3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide
SMILESCOc1nsc(OC)c1C(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1
InChIInChI=1S/C20H22N4O6S/c1-28-18-16(19(29-2)31-22-18)17(26)21-12-6-7-14-13(10-12)24(20(27)30-14)11-15(25)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,26)
InChIKeyMANSEKGAGCWQMP-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.33
Rot. Bonds6

About 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide

3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide (PubChem CID 167919342) has the molecular formula C20H22N4O6S and a molecular weight of 446.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide
PubChem CID167919342
Molecular FormulaC20H22N4O6S
Molecular Weight446.49 g/mol
Exact Mass446.13
IUPAC Name3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide
SMILESCOc1nsc(OC)c1C(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1
InChIInChI=1S/C20H22N4O6S/c1-28-18-16(19(29-2)31-22-18)17(26)21-12-6-7-14-13(10-12)24(20(27)30-14)11-15(25)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,26)
InChIKeyMANSEKGAGCWQMP-UHFFFAOYSA-N
XLogP2.33
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide
CID 167749710
6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide
CID 167826598
6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
CID 167772413
3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide
CID 167918124
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 166406072
4-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 167786688
1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide
CID 167968453
4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide
CID 167944355
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 167789866
4-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 167925866
5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide
CID 167936040
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 167981360

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide (CID 167919342) is 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide is COc1nsc(OC)c1C(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is MANSEKGAGCWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6S/c1-28-18-16(19(29-2)31-22-18)17(26)21-12-6-7-14-13(10-12)24(20(27)30-14)11-15(25)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,26).
What are the key properties of 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide?
3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 167919342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).