[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol

C17H13N3O2 — CID 21106942

IUPAC[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol
SMILESOCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)o1
InChIInChI=1S/C17H13N3O2/c21-11-13-10-18-17(22-13)16-14-8-4-5-9-15(14)20(19-16)12-6-2-1-3-7-12/h1-10,21H,11H2
InChIKeySMSIBTNGYMNRNA-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.17
Rot. Bonds3

About [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol

[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol (PubChem CID 21106942) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol
PubChem CID21106942
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol
SMILESOCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)o1
InChIInChI=1S/C17H13N3O2/c21-11-13-10-18-17(22-13)16-14-8-4-5-9-15(14)20(19-16)12-6-2-1-3-7-12/h1-10,21H,11H2
InChIKeySMSIBTNGYMNRNA-UHFFFAOYSA-N
XLogP3.17
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol?
The IUPAC name of [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol (CID 21106942) is [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol is OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)o1.
What is the InChIKey of [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol?
The InChIKey is SMSIBTNGYMNRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-11-13-10-18-17(22-13)16-14-8-4-5-9-15(14)20(19-16)12-6-2-1-3-7-12/h1-10,21H,11H2.
What are the key properties of [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol?
[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol has a molecular weight of 291.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 21106942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).