[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol

C17H13ClN4O2 — CID 71612891

IUPAC[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol
SMILESOCn1ncc2cc(Nc3ncc(-c4ccc(Cl)cc4)o3)ccc21
InChIInChI=1S/C17H13ClN4O2/c18-13-3-1-11(2-4-13)16-9-19-17(24-16)21-14-5-6-15-12(7-14)8-20-22(15)10-23/h1-9,23H,10H2,(H,19,21)
InChIKeyNBIUYGQNQUNOLA-UHFFFAOYSA-N
MW340.77 g/mol
LogP4.04
Rot. Bonds4

About [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol

[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol (PubChem CID 71612891) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol.

Molecular Properties

Compound Name[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol
PubChem CID71612891
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol
SMILESOCn1ncc2cc(Nc3ncc(-c4ccc(Cl)cc4)o3)ccc21
InChIInChI=1S/C17H13ClN4O2/c18-13-3-1-11(2-4-13)16-9-19-17(24-16)21-14-5-6-15-12(7-14)8-20-22(15)10-23/h1-9,23H,10H2,(H,19,21)
InChIKeyNBIUYGQNQUNOLA-UHFFFAOYSA-N
XLogP4.04
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol?
The IUPAC name of [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol (CID 71612891) is [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol.
What is the SMILES notation for [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol?
The canonical SMILES for [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol is OCn1ncc2cc(Nc3ncc(-c4ccc(Cl)cc4)o3)ccc21.
What is the InChIKey of [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol?
The InChIKey is NBIUYGQNQUNOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-13-3-1-11(2-4-13)16-9-19-17(24-16)21-14-5-6-15-12(7-14)8-20-22(15)10-23/h1-9,23H,10H2,(H,19,21).
What are the key properties of [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol?
[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol has a molecular weight of 340.77 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol is sourced from PubChem (CID 71612891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).