5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole

C16H19N3O2 — CID 83165463

IUPAC5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2ccc3c(OC(C)C)cccc32)no1
InChIInChI=1S/C16H19N3O2/c1-4-16-17-15(18-21-16)10-19-9-8-12-13(19)6-5-7-14(12)20-11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyMRPMWPNRNLEONS-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.42
Rot. Bonds5

About 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole

5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 83165463) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID83165463
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cn2ccc3c(OC(C)C)cccc32)no1
InChIInChI=1S/C16H19N3O2/c1-4-16-17-15(18-21-16)10-19-9-8-12-13(19)6-5-7-14(12)20-11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyMRPMWPNRNLEONS-UHFFFAOYSA-N
XLogP3.42
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole (CID 83165463) is 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole is CCc1nc(Cn2ccc3c(OC(C)C)cccc32)no1.
What is the InChIKey of 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is MRPMWPNRNLEONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-16-17-15(18-21-16)10-19-9-8-12-13(19)6-5-7-14(12)20-11(2)3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole?
5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 83165463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).