2-[3-[(15S,19S)-15-methyl-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

C23H26N4O2 — CID 148545070

IUPAC2-[3-[(15S,19S)-15-methyl-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)(O)c1nc(C2=C[C@]3(C)CCCN4CCc5c(n2c2ccccc52)[C@@H]43)no1
InChIInChI=1S/C23H26N4O2/c1-22(2,28)21-24-20(25-29-21)17-13-23(3)10-6-11-26-12-9-15-14-7-4-5-8-16(14)27(17)18(15)19(23)26/h4-5,7-8,13,19,28H,6,9-12H2,1-3H3/t19-,23+/m1/s1
InChIKeyMSXXVXQMAKERQX-XXBNENTESA-N
MW390.49 g/mol
LogP3.85
Rot. Bonds2

About 2-[3-[(15S,19S)-15-methyl-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-methyl-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 148545070) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[3-[(15S,19S)-15-methyl-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-methyl-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 CID148545070
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[3-[(15S,19S)-15-methyl-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)(O)c1nc(C2=C[C@]3(C)CCCN4CCc5c(n2c2ccccc52)[C@@H]43)no1
InChIInChI=1S/C23H26N4O2/c1-22(2,28)21-24-20(25-29-21)17-13-23(3)10-6-11-26-12-9-15-14-7-4-5-8-16(14)27(17)18(15)19(23)26/h4-5,7-8,13,19,28H,6,9-12H2,1-3H3/t19-,23+/m1/s1
InChIKeyMSXXVXQMAKERQX-XXBNENTESA-N
XLogP3.85
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(15S,19S)-15-methyl-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(15S,19S)-15-methyl-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-methyl-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 148545070) is 2-[3-[(15S,19S)-15-methyl-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-methyl-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-methyl-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)(O)c1nc(C2=C[C@]3(C)CCCN4CCc5c(n2c2ccccc52)[C@@H]43)no1.
What is the InChIKey of 2-[3-[(15S,19S)-15-methyl-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 MSXXVXQMAKERQX-XXBNENTESA-N. The full InChI is InChI=1S/C23H26N4O2/c1-22(2,28)21-24-20(25-29-21)17-13-23(3)10-6-11-26-12-9-15-14-7-4-5-8-16(14)27(17)18(15)19(23)26/h4-5,7-8,13,19,28H,6,9-12H2,1-3H3/t19-,23+/m1/s1.
What are the key properties of 2-[3-[(15S,19S)-15-methyl-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-methyl-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 390.49 g/mol, XLogP of 3.85, 2 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-methyl-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 148545070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).