N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide

C17H15N5O2S — CID 155328507

IUPACN-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide
SMILESCS(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C17H15N5O2S/c1-25(23)22-14-4-2-3-13(8-14)20-17-18-10-16(24-17)11-5-6-15-12(7-11)9-19-21-15/h2-10,22H,1H3,(H,18,20)(H,19,21)
InChIKeyCEQXRRIRULQJBP-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.67
Rot. Bonds5

About N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide

N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide (PubChem CID 155328507) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide.

Molecular Properties

Compound NameN-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide
PubChem CID155328507
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide
SMILESCS(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C17H15N5O2S/c1-25(23)22-14-4-2-3-13(8-14)20-17-18-10-16(24-17)11-5-6-15-12(7-11)9-19-21-15/h2-10,22H,1H3,(H,18,20)(H,19,21)
InChIKeyCEQXRRIRULQJBP-UHFFFAOYSA-N
XLogP3.67
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide?
The IUPAC name of N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide (CID 155328507) is N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide.
What is the SMILES notation for N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide?
The canonical SMILES for N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide is CS(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1.
What is the InChIKey of N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide?
The InChIKey is CEQXRRIRULQJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-25(23)22-14-4-2-3-13(8-14)20-17-18-10-16(24-17)11-5-6-15-12(7-11)9-19-21-15/h2-10,22H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide?
N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide has a molecular weight of 353.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfinamide is sourced from PubChem (CID 155328507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).