2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol

C24H28N4O2 — CID 122485584

IUPAC2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC[C@@]12C=C(c3noc(C(C)(C)O)n3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42
InChIInChI=1S/C24H28N4O2/c1-4-24-11-7-12-27-13-10-16-15-8-5-6-9-17(15)28(19(16)20(24)27)18(14-24)21-25-22(30-26-21)23(2,3)29/h5-6,8-9,14,20,29H,4,7,10-13H2,1-3H3/t20-,24+/m1/s1
InChIKeyHDBAYXJUASXXPF-YKSBVNFPSA-N
MW404.51 g/mol
LogP4.24
Rot. Bonds3

About 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol

2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 122485584) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID122485584
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC[C@@]12C=C(c3noc(C(C)(C)O)n3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42
InChIInChI=1S/C24H28N4O2/c1-4-24-11-7-12-27-13-10-16-15-8-5-6-9-17(15)28(19(16)20(24)27)18(14-24)21-25-22(30-26-21)23(2,3)29/h5-6,8-9,14,20,29H,4,7,10-13H2,1-3H3/t20-,24+/m1/s1
InChIKeyHDBAYXJUASXXPF-YKSBVNFPSA-N
XLogP4.24
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol 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 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 122485584) is 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol is CC[C@@]12C=C(c3noc(C(C)(C)O)n3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42.
What is the InChIKey of 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is HDBAYXJUASXXPF-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-24-11-7-12-27-13-10-16-15-8-5-6-9-17(15)28(19(16)20(24)27)18(14-24)21-25-22(30-26-21)23(2,3)29/h5-6,8-9,14,20,29H,4,7,10-13H2,1-3H3/t20-,24+/m1/s1.
What are the key properties of 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 404.51 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 122485584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).