[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol

C15H17N3O2 — CID 66399089

IUPAC[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
SMILESCC(C)c1noc(Cn2cc(CO)c3ccccc32)n1
InChIInChI=1S/C15H17N3O2/c1-10(2)15-16-14(20-17-15)8-18-7-11(9-19)12-5-3-4-6-13(12)18/h3-7,10,19H,8-9H2,1-2H3
InChIKeyZWUCZXORKJMHGD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.69
Rot. Bonds4

About [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol

[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol (PubChem CID 66399089) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
PubChem CID66399089
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
SMILESCC(C)c1noc(Cn2cc(CO)c3ccccc32)n1
InChIInChI=1S/C15H17N3O2/c1-10(2)15-16-14(20-17-15)8-18-7-11(9-19)12-5-3-4-6-13(12)18/h3-7,10,19H,8-9H2,1-2H3
InChIKeyZWUCZXORKJMHGD-UHFFFAOYSA-N
XLogP2.69
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol (CID 66399089) is [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol is CC(C)c1noc(Cn2cc(CO)c3ccccc32)n1.
What is the InChIKey of [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol?
The InChIKey is ZWUCZXORKJMHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)15-16-14(20-17-15)8-18-7-11(9-19)12-5-3-4-6-13(12)18/h3-7,10,19H,8-9H2,1-2H3.
What are the key properties of [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol?
[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol has a molecular weight of 271.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 66399089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).