N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

C17H14N4O4S — CID 71472295

IUPACN-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc4ncoc4c3)o2)c1
InChIInChI=1S/C17H14N4O4S/c1-26(22,23)21-13-4-2-3-12(8-13)20-17-18-9-16(25-17)11-5-6-14-15(7-11)24-10-19-14/h2-10,21H,1H3,(H,18,20)
InChIKeyDIOOFQUYSYEMQF-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.60
Rot. Bonds5

About N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 71472295) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
PubChem CID71472295
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC NameN-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc4ncoc4c3)o2)c1
InChIInChI=1S/C17H14N4O4S/c1-26(22,23)21-13-4-2-3-12(8-13)20-17-18-9-16(25-17)11-5-6-14-15(7-11)24-10-19-14/h2-10,21H,1H3,(H,18,20)
InChIKeyDIOOFQUYSYEMQF-UHFFFAOYSA-N
XLogP3.60
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (CID 71472295) is N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc4ncoc4c3)o2)c1.
What is the InChIKey of N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is DIOOFQUYSYEMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c1-26(22,23)21-13-4-2-3-12(8-13)20-17-18-9-16(25-17)11-5-6-14-15(7-11)24-10-19-14/h2-10,21H,1H3,(H,18,20).
What are the key properties of N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 370.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(1,3-benzoxazol-6-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 71472295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).