[2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol

C16H12N2O2 — CID 142739910

IUPAC[2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3ccc4[nH]ccc4c3)nc2c1
InChIInChI=1S/C16H12N2O2/c19-9-10-1-4-15-14(7-10)18-16(20-15)12-2-3-13-11(8-12)5-6-17-13/h1-8,17,19H,9H2
InChIKeyHONLTIJRBMJGNO-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.47
Rot. Bonds2

About [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol

[2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 142739910) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol
PubChem CID142739910
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name[2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3ccc4[nH]ccc4c3)nc2c1
InChIInChI=1S/C16H12N2O2/c19-9-10-1-4-15-14(7-10)18-16(20-15)12-2-3-13-11(8-12)5-6-17-13/h1-8,17,19H,9H2
InChIKeyHONLTIJRBMJGNO-UHFFFAOYSA-N
XLogP3.47
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol (CID 142739910) is [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol is OCc1ccc2oc(-c3ccc4[nH]ccc4c3)nc2c1.
What is the InChIKey of [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is HONLTIJRBMJGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-9-10-1-4-15-14(7-10)18-16(20-15)12-2-3-13-11(8-12)5-6-17-13/h1-8,17,19H,9H2.
What are the key properties of [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol?
[2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol has a molecular weight of 264.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 142739910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).