2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide

C18H13N3O5S — CID 146024988

IUPAC2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)ccc2o1
InChIInChI=1S/C18H13N3O5S/c22-18-20-15-11-14(7-8-16(15)26-18)27(23,24)21-12-4-3-5-13(10-12)25-17-6-1-2-9-19-17/h1-11,21H,(H,20,22)
InChIKeyWCKHTZZWQVQMQX-UHFFFAOYSA-N
MW383.39 g/mol
LogP3.11
Rot. Bonds5

About 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide

2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 146024988) has the molecular formula C18H13N3O5S and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID146024988
Molecular FormulaC18H13N3O5S
Molecular Weight383.39 g/mol
Exact Mass383.06
IUPAC Name2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)ccc2o1
InChIInChI=1S/C18H13N3O5S/c22-18-20-15-11-14(7-8-16(15)26-18)27(23,24)21-12-4-3-5-13(10-12)25-17-6-1-2-9-19-17/h1-11,21H,(H,20,22)
InChIKeyWCKHTZZWQVQMQX-UHFFFAOYSA-N
XLogP3.11
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122316108
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760726
2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122307950
N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760759
N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 35547980
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122309507
2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide
CID 61051650
N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024943
3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912152
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783493
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912208

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide (CID 146024988) is 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide is O=c1[nH]c2cc(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)ccc2o1.
What is the InChIKey of 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is WCKHTZZWQVQMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5S/c22-18-20-15-11-14(7-8-16(15)26-18)27(23,24)21-12-4-3-5-13(10-12)25-17-6-1-2-9-19-17/h1-11,21H,(H,20,22).
What are the key properties of 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide?
2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 383.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 146024988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).