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

C17H15N5O3S — CID 71472347

IUPACN-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C17H15N5O3S/c1-26(23,24)22-14-4-2-3-13(8-14)20-17-18-10-16(25-17)11-5-6-15-12(7-11)9-19-21-15/h2-10,22H,1H3,(H,18,20)(H,19,21)
InChIKeyPJJJODPFXBGQGP-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.33
Rot. Bonds5

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

N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 71472347) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
PubChem CID71472347
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C17H15N5O3S/c1-26(23,24)22-14-4-2-3-13(8-14)20-17-18-10-16(25-17)11-5-6-15-12(7-11)9-19-21-15/h2-10,22H,1H3,(H,18,20)(H,19,21)
InChIKeyPJJJODPFXBGQGP-UHFFFAOYSA-N
XLogP3.33
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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]methanesulfonamide?
The IUPAC name of N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (CID 71472347) is N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is CS(=O)(=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]methanesulfonamide?
The InChIKey is PJJJODPFXBGQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-26(23,24)22-14-4-2-3-13(8-14)20-17-18-10-16(25-17)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]methanesulfonamide?
N-[3-[[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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]methanesulfonamide is sourced from PubChem (CID 71472347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).