(6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane

C19H24N4O2 — CID 125026143

IUPAC(6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane
SMILESCc1nc(CN2CCOC[C@H](Cc3ccc4c(ccn4C)c3)C2)no1
InChIInChI=1S/C19H24N4O2/c1-14-20-19(21-25-14)12-23-7-8-24-13-16(11-23)9-15-3-4-18-17(10-15)5-6-22(18)2/h3-6,10,16H,7-9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyZRNFVMOPRQYOLK-MRXNPFEDSA-N
MW340.43 g/mol
LogP2.56
Rot. Bonds4

About (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane

(6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane (PubChem CID 125026143) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane
PubChem CID125026143
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane
SMILESCc1nc(CN2CCOC[C@H](Cc3ccc4c(ccn4C)c3)C2)no1
InChIInChI=1S/C19H24N4O2/c1-14-20-19(21-25-14)12-23-7-8-24-13-16(11-23)9-15-3-4-18-17(10-15)5-6-22(18)2/h3-6,10,16H,7-9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyZRNFVMOPRQYOLK-MRXNPFEDSA-N
XLogP2.56
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane 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 (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane?
The IUPAC name of (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane (CID 125026143) is (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane.
What is the SMILES notation for (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane?
The canonical SMILES for (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane is Cc1nc(CN2CCOC[C@H](Cc3ccc4c(ccn4C)c3)C2)no1.
What is the InChIKey of (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane?
The InChIKey is ZRNFVMOPRQYOLK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-20-19(21-25-14)12-23-7-8-24-13-16(11-23)9-15-3-4-18-17(10-15)5-6-22(18)2/h3-6,10,16H,7-9,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane?
(6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane has a molecular weight of 340.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane is sourced from PubChem (CID 125026143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).