3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole

C14H16N4O4 — CID 96817755

IUPAC3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCO[C@H](C)c1noc(CN2CCc3cc([N+](=O)[O-])ccc32)n1
InChIInChI=1S/C14H16N4O4/c1-9(21-2)14-15-13(22-16-14)8-17-6-5-10-7-11(18(19)20)3-4-12(10)17/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyCEWFOYIZBPNTNZ-SECBINFHSA-N
MW304.31 g/mol
LogP2.25
Rot. Bonds5

About 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole

3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 96817755) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID96817755
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCO[C@H](C)c1noc(CN2CCc3cc([N+](=O)[O-])ccc32)n1
InChIInChI=1S/C14H16N4O4/c1-9(21-2)14-15-13(22-16-14)8-17-6-5-10-7-11(18(19)20)3-4-12(10)17/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyCEWFOYIZBPNTNZ-SECBINFHSA-N
XLogP2.25
TPSA94.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole (CID 96817755) is 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole is CO[C@H](C)c1noc(CN2CCc3cc([N+](=O)[O-])ccc32)n1.
What is the InChIKey of 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is CEWFOYIZBPNTNZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-9(21-2)14-15-13(22-16-14)8-17-6-5-10-7-11(18(19)20)3-4-12(10)17/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole?
3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 304.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-methoxyethyl]-5-[(5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 96817755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).