2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide

C24H27FN8O4 — CID 87366947

IUPAC2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide
SMILESCCNc1ncc2c(n1)N1CCCC1CN(c1cccc(-c3nn(CC(=O)NCCF)c(=O)o3)c1)C2=O
InChIInChI=1S/C24H27FN8O4/c1-2-26-23-28-12-18-20(29-23)31-10-4-7-17(31)13-32(22(18)35)16-6-3-5-15(11-16)21-30-33(24(36)37-21)14-19(34)27-9-8-25/h3,5-6,11-12,17H,2,4,7-10,13-14H2,1H3,(H,27,34)(H,26,28,29)
InChIKeyQFDMKLUAVNDCQW-UHFFFAOYSA-N
MW510.53 g/mol
LogP1.44
Rot. Bonds8

About 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide

2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide (PubChem CID 87366947) has the molecular formula C24H27FN8O4 and a molecular weight of 510.53 g/mol. Its IUPAC name is 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide.

Molecular Properties

Compound Name2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide
PubChem CID87366947
Molecular FormulaC24H27FN8O4
Molecular Weight510.53 g/mol
Exact Mass510.21
IUPAC Name2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide
SMILESCCNc1ncc2c(n1)N1CCCC1CN(c1cccc(-c3nn(CC(=O)NCCF)c(=O)o3)c1)C2=O
InChIInChI=1S/C24H27FN8O4/c1-2-26-23-28-12-18-20(29-23)31-10-4-7-17(31)13-32(22(18)35)16-6-3-5-15(11-16)21-30-33(24(36)37-21)14-19(34)27-9-8-25/h3,5-6,11-12,17H,2,4,7-10,13-14H2,1H3,(H,27,34)(H,26,28,29)
InChIKeyQFDMKLUAVNDCQW-UHFFFAOYSA-N
XLogP1.44
TPSA138.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide?
The IUPAC name of 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide (CID 87366947) is 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide.
What is the SMILES notation for 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide?
The canonical SMILES for 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide is CCNc1ncc2c(n1)N1CCCC1CN(c1cccc(-c3nn(CC(=O)NCCF)c(=O)o3)c1)C2=O.
What is the InChIKey of 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide?
The InChIKey is QFDMKLUAVNDCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O4/c1-2-26-23-28-12-18-20(29-23)31-10-4-7-17(31)13-32(22(18)35)16-6-3-5-15(11-16)21-30-33(24(36)37-21)14-19(34)27-9-8-25/h3,5-6,11-12,17H,2,4,7-10,13-14H2,1H3,(H,27,34)(H,26,28,29).
What are the key properties of 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide?
2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide has a molecular weight of 510.53 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-fluoroethyl)acetamide is sourced from PubChem (CID 87366947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).