6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole

C24H23F2N3O — CID 15646193

IUPAC6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole
SMILESFc1ccc2c(CCCN3C4CCCC3c3c([nH]c5ccc(F)cc35)C4)noc2c1
InChIInChI=1S/C24H23F2N3O/c25-14-7-9-19-18(11-14)24-21(27-19)13-16-3-1-5-22(24)29(16)10-2-4-20-17-8-6-15(26)12-23(17)30-28-20/h6-9,11-12,16,22,27H,1-5,10,13H2
InChIKeySVUPKIFOEXQRAR-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.67
Rot. Bonds4

About 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole

6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole (PubChem CID 15646193) has the molecular formula C24H23F2N3O and a molecular weight of 407.46 g/mol. Its IUPAC name is 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole
PubChem CID15646193
Molecular FormulaC24H23F2N3O
Molecular Weight407.46 g/mol
Exact Mass407.18
IUPAC Name6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole
SMILESFc1ccc2c(CCCN3C4CCCC3c3c([nH]c5ccc(F)cc35)C4)noc2c1
InChIInChI=1S/C24H23F2N3O/c25-14-7-9-19-18(11-14)24-21(27-19)13-16-3-1-5-22(24)29(16)10-2-4-20-17-8-6-15(26)12-23(17)30-28-20/h6-9,11-12,16,22,27H,1-5,10,13H2
InChIKeySVUPKIFOEXQRAR-UHFFFAOYSA-N
XLogP5.67
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole with MolForge

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Related Compounds

CID 9866660
CID 9866660
CID 141745660
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CID 15646191
CID 15646191
CID 13078389
CID 13078389
CID 13078390
CID 13078390
CID 13078392
CID 13078392
CID 13078395
CID 13078395
CID 13078397
CID 13078397
CID 10431639
CID 10431639
CID 15646187
CID 15646187
CID 16191512
CID 16191512
CID 44283959
CID 44283959

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole (CID 15646193) is 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole is Fc1ccc2c(CCCN3C4CCCC3c3c([nH]c5ccc(F)cc35)C4)noc2c1.
What is the InChIKey of 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole?
The InChIKey is SVUPKIFOEXQRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O/c25-14-7-9-19-18(11-14)24-21(27-19)13-16-3-1-5-22(24)29(16)10-2-4-20-17-8-6-15(26)12-23(17)30-28-20/h6-9,11-12,16,22,27H,1-5,10,13H2.
What are the key properties of 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole?
6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole has a molecular weight of 407.46 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[3-(5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-16-yl)propyl]-1,2-benzoxazole is sourced from PubChem (CID 15646193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).