3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole

C15H15N3O2 — CID 115619569

IUPAC3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc2c(ccn2Cc2nc(C3CC3)no2)c1
InChIInChI=1S/C15H15N3O2/c1-19-12-4-5-13-11(8-12)6-7-18(13)9-14-16-15(17-20-14)10-2-3-10/h4-8,10H,2-3,9H2,1H3
InChIKeyXWWPKAMUOIMCNX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.96
Rot. Bonds4

About 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 115619569) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID115619569
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc2c(ccn2Cc2nc(C3CC3)no2)c1
InChIInChI=1S/C15H15N3O2/c1-19-12-4-5-13-11(8-12)6-7-18(13)9-14-16-15(17-20-14)10-2-3-10/h4-8,10H,2-3,9H2,1H3
InChIKeyXWWPKAMUOIMCNX-UHFFFAOYSA-N
XLogP2.96
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 116619426
ethyl 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421740
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
CID 79107387
2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 50831857
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402636
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63811888
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 116623924
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
CID 43329869
5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 154694298

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole (CID 115619569) is 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole is COc1ccc2c(ccn2Cc2nc(C3CC3)no2)c1.
What is the InChIKey of 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is XWWPKAMUOIMCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-19-12-4-5-13-11(8-12)6-7-18(13)9-14-16-15(17-20-14)10-2-3-10/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 269.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 115619569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).