(7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one

C14H22FN3O2 — CID 178071763

IUPAC(7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one
SMILESO=C1C2CC(F)CCC2NC2N1CC[C@H]1COCCN21
InChIInChI=1S/C14H22FN3O2/c15-9-1-2-12-11(7-9)13(19)18-4-3-10-8-20-6-5-17(10)14(18)16-12/h9-12,14,16H,1-8H2/t9?,10-,11?,12?,14?/m0/s1
InChIKeyBNYYEQPTPCKKPN-CCVBRQKOSA-N
MW283.35 g/mol
LogP0.31
Rot. Bonds

About (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one

(7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one (PubChem CID 178071763) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one.

Molecular Properties

Compound Name(7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one
PubChem CID178071763
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name(7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one
SMILESO=C1C2CC(F)CCC2NC2N1CC[C@H]1COCCN21
InChIInChI=1S/C14H22FN3O2/c15-9-1-2-12-11(7-9)13(19)18-4-3-10-8-20-6-5-17(10)14(18)16-12/h9-12,14,16H,1-8H2/t9?,10-,11?,12?,14?/m0/s1
InChIKeyBNYYEQPTPCKKPN-CCVBRQKOSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one?
The IUPAC name of (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one (CID 178071763) is (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one.
What is the SMILES notation for (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one?
The canonical SMILES for (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one is O=C1C2CC(F)CCC2NC2N1CC[C@H]1COCCN21.
What is the InChIKey of (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one?
The InChIKey is BNYYEQPTPCKKPN-CCVBRQKOSA-N. The full InChI is InChI=1S/C14H22FN3O2/c15-9-1-2-12-11(7-9)13(19)18-4-3-10-8-20-6-5-17(10)14(18)16-12/h9-12,14,16H,1-8H2/t9?,10-,11?,12?,14?/m0/s1.
What are the key properties of (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one?
(7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one has a molecular weight of 283.35 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-14-fluoro-5-oxa-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one is sourced from PubChem (CID 178071763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).