2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole

C17H21N3O — CID 40694001

IUPAC2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole
SMILESCCCCc1nnc(-c2cc3ccccc3n2C(C)C)o1
InChIInChI=1S/C17H21N3O/c1-4-5-10-16-18-19-17(21-16)15-11-13-8-6-7-9-14(13)20(15)12(2)3/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyMBLDNHXKFHMLFD-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.61
Rot. Bonds5

About 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole

2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole (PubChem CID 40694001) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole
PubChem CID40694001
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole
SMILESCCCCc1nnc(-c2cc3ccccc3n2C(C)C)o1
InChIInChI=1S/C17H21N3O/c1-4-5-10-16-18-19-17(21-16)15-11-13-8-6-7-9-14(13)20(15)12(2)3/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyMBLDNHXKFHMLFD-UHFFFAOYSA-N
XLogP4.61
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole (CID 40694001) is 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole is CCCCc1nnc(-c2cc3ccccc3n2C(C)C)o1.
What is the InChIKey of 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole?
The InChIKey is MBLDNHXKFHMLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-5-10-16-18-19-17(21-16)15-11-13-8-6-7-9-14(13)20(15)12(2)3/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole?
2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole has a molecular weight of 283.38 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 40694001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).