5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole

C16H21N3O2 — CID 116703929

IUPAC5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCOC(c1noc(-c2ccc3c(c2)CCN3)n1)C(C)(C)C
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13(20-4)14-18-15(21-19-14)11-5-6-12-10(9-11)7-8-17-12/h5-6,9,13,17H,7-8H2,1-4H3
InChIKeyJKQARMVVQHIJQD-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.44
Rot. Bonds3

About 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole (PubChem CID 116703929) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
PubChem CID116703929
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCOC(c1noc(-c2ccc3c(c2)CCN3)n1)C(C)(C)C
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13(20-4)14-18-15(21-19-14)11-5-6-12-10(9-11)7-8-17-12/h5-6,9,13,17H,7-8H2,1-4H3
InChIKeyJKQARMVVQHIJQD-UHFFFAOYSA-N
XLogP3.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 64539406
5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 63891268
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 43622149
5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814581
3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
CID 43325515
4-bromo-2-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885803
5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330487
5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole
CID 65353424
5-chloro-2-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965291
5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 113382399
4-chloro-3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503458

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole (CID 116703929) is 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole is COC(c1noc(-c2ccc3c(c2)CCN3)n1)C(C)(C)C.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole?
The InChIKey is JKQARMVVQHIJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)13(20-4)14-18-15(21-19-14)11-5-6-12-10(9-11)7-8-17-12/h5-6,9,13,17H,7-8H2,1-4H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole has a molecular weight of 287.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116703929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).