4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol

C17H13N3O2 — CID 137028379

IUPAC4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCn1ccc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc21
InChIInChI=1S/C17H13N3O2/c1-20-9-8-11-2-3-13(10-15(11)20)16-18-17(22-19-16)12-4-6-14(21)7-5-12/h2-10,21H,1H3
InChIKeyTYHBTPKPQNLNDW-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.60
Rot. Bonds2

About 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol

4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137028379) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137028379
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCn1ccc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc21
InChIInChI=1S/C17H13N3O2/c1-20-9-8-11-2-3-13(10-15(11)20)16-18-17(22-19-16)12-4-6-14(21)7-5-12/h2-10,21H,1H3
InChIKeyTYHBTPKPQNLNDW-UHFFFAOYSA-N
XLogP3.60
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137028379) is 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol is Cn1ccc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc21.
What is the InChIKey of 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is TYHBTPKPQNLNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-20-9-8-11-2-3-13(10-15(11)20)16-18-17(22-19-16)12-4-6-14(21)7-5-12/h2-10,21H,1H3.
What are the key properties of 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 291.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137028379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).