4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol

C20H13N3O2 — CID 137028422

IUPAC4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4[nH]c5ccccc5c4c3)no2)cc1
InChIInChI=1S/C20H13N3O2/c24-14-8-5-12(6-9-14)20-22-19(23-25-20)13-7-10-18-16(11-13)15-3-1-2-4-17(15)21-18/h1-11,21,24H
InChIKeyBFVUUSYFTUTILT-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.74
Rot. Bonds2

About 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol

4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137028422) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137028422
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4[nH]c5ccccc5c4c3)no2)cc1
InChIInChI=1S/C20H13N3O2/c24-14-8-5-12(6-9-14)20-22-19(23-25-20)13-7-10-18-16(11-13)15-3-1-2-4-17(15)21-18/h1-11,21,24H
InChIKeyBFVUUSYFTUTILT-UHFFFAOYSA-N
XLogP4.74
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137028422) is 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc4[nH]c5ccccc5c4c3)no2)cc1.
What is the InChIKey of 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is BFVUUSYFTUTILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c24-14-8-5-12(6-9-14)20-22-19(23-25-20)13-7-10-18-16(11-13)15-3-1-2-4-17(15)21-18/h1-11,21,24H.
What are the key properties of 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 327.34 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137028422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).