5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one

C24H19F2N5O2 — CID 137472319

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one
SMILESO=C1c2ccccc2C2=C3c4cc(-c5nnc(C(F)F)o5)cnc4CN3C3CCCCC3N12
InChIInChI=1S/C24H19F2N5O2/c25-21(26)23-29-28-22(33-23)12-9-15-16(27-10-12)11-30-17-7-3-4-8-18(17)31-20(19(15)30)13-5-1-2-6-14(13)24(31)32/h1-2,5-6,9-10,17-18,21H,3-4,7-8,11H2
InChIKeyOKUZZCLBENRZPD-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.49
Rot. Bonds2

About 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one (PubChem CID 137472319) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one
PubChem CID137472319
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one
SMILESO=C1c2ccccc2C2=C3c4cc(-c5nnc(C(F)F)o5)cnc4CN3C3CCCCC3N12
InChIInChI=1S/C24H19F2N5O2/c25-21(26)23-29-28-22(33-23)12-9-15-16(27-10-12)11-30-17-7-3-4-8-18(17)31-20(19(15)30)13-5-1-2-6-14(13)24(31)32/h1-2,5-6,9-10,17-18,21H,3-4,7-8,11H2
InChIKeyOKUZZCLBENRZPD-UHFFFAOYSA-N
XLogP4.49
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one 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 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one (CID 137472319) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one is O=C1c2ccccc2C2=C3c4cc(-c5nnc(C(F)F)o5)cnc4CN3C3CCCCC3N12.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one?
The InChIKey is OKUZZCLBENRZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c25-21(26)23-29-28-22(33-23)12-9-15-16(27-10-12)11-30-17-7-3-4-8-18(17)31-20(19(15)30)13-5-1-2-6-14(13)24(31)32/h1-2,5-6,9-10,17-18,21H,3-4,7-8,11H2.
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one has a molecular weight of 447.45 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7,10,17-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1,3(8),4,6,19,21,23-heptaen-18-one is sourced from PubChem (CID 137472319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).