(15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene

C19H14FN5O3 — CID 155286280

IUPAC(15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene
SMILESFc1ccc2c3c1CNc1c(cc(-c4cnco4)c4nncn14)OC[C@@H]3CO2
InChIInChI=1S/C19H14FN5O3/c20-13-1-2-14-17-10(6-26-14)7-27-15-3-11(16-5-21-9-28-16)18-24-23-8-25(18)19(15)22-4-12(13)17/h1-3,5,8-10,22H,4,6-7H2/t10-/m0/s1
InChIKeyKPPNVBKXAQXLCN-JTQLQIEISA-N
MW379.35 g/mol
LogP3.00
Rot. Bonds1

About (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene

(15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene (PubChem CID 155286280) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene.

Molecular Properties

Compound Name(15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene
PubChem CID155286280
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name(15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene
SMILESFc1ccc2c3c1CNc1c(cc(-c4cnco4)c4nncn14)OC[C@@H]3CO2
InChIInChI=1S/C19H14FN5O3/c20-13-1-2-14-17-10(6-26-14)7-27-15-3-11(16-5-21-9-28-16)18-24-23-8-25(18)19(15)22-4-12(13)17/h1-3,5,8-10,22H,4,6-7H2/t10-/m0/s1
InChIKeyKPPNVBKXAQXLCN-JTQLQIEISA-N
XLogP3.00
TPSA86.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene?
The IUPAC name of (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene (CID 155286280) is (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene.
What is the SMILES notation for (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene?
The canonical SMILES for (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene is Fc1ccc2c3c1CNc1c(cc(-c4cnco4)c4nncn14)OC[C@@H]3CO2.
What is the InChIKey of (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene?
The InChIKey is KPPNVBKXAQXLCN-JTQLQIEISA-N. The full InChI is InChI=1S/C19H14FN5O3/c20-13-1-2-14-17-10(6-26-14)7-27-15-3-11(16-5-21-9-28-16)18-24-23-8-25(18)19(15)22-4-12(13)17/h1-3,5,8-10,22H,4,6-7H2/t10-/m0/s1.
What are the key properties of (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene?
(15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene has a molecular weight of 379.35 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-21-fluoro-10-(1,3-oxazol-5-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene is sourced from PubChem (CID 155286280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).