2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide

C17H19N5O4S — CID 122353268

IUPAC2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)NCc3ccnc(N4CCCCC4)n3)ccc2o1
InChIInChI=1S/C17H19N5O4S/c23-17-21-14-10-13(4-5-15(14)26-17)27(24,25)19-11-12-6-7-18-16(20-12)22-8-2-1-3-9-22/h4-7,10,19H,1-3,8-9,11H2,(H,21,23)
InChIKeyKMBQMAZTQFJURF-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.38
Rot. Bonds5

About 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide

2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 122353268) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID122353268
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)NCc3ccnc(N4CCCCC4)n3)ccc2o1
InChIInChI=1S/C17H19N5O4S/c23-17-21-14-10-13(4-5-15(14)26-17)27(24,25)19-11-12-6-7-18-16(20-12)22-8-2-1-3-9-22/h4-7,10,19H,1-3,8-9,11H2,(H,21,23)
InChIKeyKMBQMAZTQFJURF-UHFFFAOYSA-N
XLogP1.38
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122352971
3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967301
3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967204
3-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122353565
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122317979
3-chloro-4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352175
4-cyano-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353301
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967327
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122294021

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide (CID 122353268) is 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide is O=c1[nH]c2cc(S(=O)(=O)NCc3ccnc(N4CCCCC4)n3)ccc2o1.
What is the InChIKey of 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is KMBQMAZTQFJURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c23-17-21-14-10-13(4-5-15(14)26-17)27(24,25)19-11-12-6-7-18-16(20-12)22-8-2-1-3-9-22/h4-7,10,19H,1-3,8-9,11H2,(H,21,23).
What are the key properties of 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide?
2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 389.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122353268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).