3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole

C26H32N4O2 — CID 145131728

IUPAC3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCCC1(CC)C=C(c2noc(C3CCOCC3)n2)n2c3c(c4ccccc42)CCN(C)[C@H]31
InChIInChI=1S/C26H32N4O2/c1-4-26(5-2)16-21(24-27-25(32-28-24)17-11-14-31-15-12-17)30-20-9-7-6-8-18(20)19-10-13-29(3)23(26)22(19)30/h6-9,16-17,23H,4-5,10-15H2,1-3H3/t23-/m1/s1
InChIKeyYDLLGENBWBWQHP-HSZRJFAPSA-N
MW432.57 g/mol
LogP5.16
Rot. Bonds4

About 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole

3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole (PubChem CID 145131728) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole
PubChem CID145131728
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCCC1(CC)C=C(c2noc(C3CCOCC3)n2)n2c3c(c4ccccc42)CCN(C)[C@H]31
InChIInChI=1S/C26H32N4O2/c1-4-26(5-2)16-21(24-27-25(32-28-24)17-11-14-31-15-12-17)30-20-9-7-6-8-18(20)19-10-13-29(3)23(26)22(19)30/h6-9,16-17,23H,4-5,10-15H2,1-3H3/t23-/m1/s1
InChIKeyYDLLGENBWBWQHP-HSZRJFAPSA-N
XLogP5.16
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-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-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole (CID 145131728) is 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole is CCC1(CC)C=C(c2noc(C3CCOCC3)n2)n2c3c(c4ccccc42)CCN(C)[C@H]31.
What is the InChIKey of 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is YDLLGENBWBWQHP-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-26(5-2)16-21(24-27-25(32-28-24)17-11-14-31-15-12-17)30-20-9-7-6-8-18(20)19-10-13-29(3)23(26)22(19)30/h6-9,16-17,23H,4-5,10-15H2,1-3H3/t23-/m1/s1.
What are the key properties of 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole?
3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 432.57 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-4,4-diethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaen-2-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 145131728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).