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

C14H15N3O2 — CID 66397796

IUPAC[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
SMILESCCc1noc(Cn2cc(CO)c3ccccc32)n1
InChIInChI=1S/C14H15N3O2/c1-2-13-15-14(19-16-13)8-17-7-10(9-18)11-5-3-4-6-12(11)17/h3-7,18H,2,8-9H2,1H3
InChIKeyKCLIRFSQRNIFGW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.13
Rot. Bonds4

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

[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol (PubChem CID 66397796) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
PubChem CID66397796
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
SMILESCCc1noc(Cn2cc(CO)c3ccccc32)n1
InChIInChI=1S/C14H15N3O2/c1-2-13-15-14(19-16-13)8-17-7-10(9-18)11-5-3-4-6-12(11)17/h3-7,18H,2,8-9H2,1H3
InChIKeyKCLIRFSQRNIFGW-UHFFFAOYSA-N
XLogP2.13
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol (CID 66397796) is [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol is CCc1noc(Cn2cc(CO)c3ccccc32)n1.
What is the InChIKey of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol?
The InChIKey is KCLIRFSQRNIFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-13-15-14(19-16-13)8-17-7-10(9-18)11-5-3-4-6-12(11)17/h3-7,18H,2,8-9H2,1H3.
What are the key properties of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol?
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol has a molecular weight of 257.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 66397796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).