(14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione

C18H17FN4O4 — CID 67988868

IUPAC(14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione
SMILESCN1C(=O)CCc2c3c(cc(F)c21)N1C(=O)O[C@@H](CNc2ccon2)[C@@H]1C3
InChIInChI=1S/C18H17FN4O4/c1-22-16(24)3-2-9-10-6-13-14(8-20-15-4-5-26-21-15)27-18(25)23(13)12(10)7-11(19)17(9)22/h4-5,7,13-14H,2-3,6,8H2,1H3,(H,20,21)/t13-,14-/m0/s1
InChIKeySHNZTHTUVGCWBU-KBPBESRZSA-N
MW372.36 g/mol
LogP2.08
Rot. Bonds3

About (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione

(14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione (PubChem CID 67988868) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione.

Molecular Properties

Compound Name(14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione
PubChem CID67988868
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name(14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione
SMILESCN1C(=O)CCc2c3c(cc(F)c21)N1C(=O)O[C@@H](CNc2ccon2)[C@@H]1C3
InChIInChI=1S/C18H17FN4O4/c1-22-16(24)3-2-9-10-6-13-14(8-20-15-4-5-26-21-15)27-18(25)23(13)12(10)7-11(19)17(9)22/h4-5,7,13-14H,2-3,6,8H2,1H3,(H,20,21)/t13-,14-/m0/s1
InChIKeySHNZTHTUVGCWBU-KBPBESRZSA-N
XLogP2.08
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione?
The IUPAC name of (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione (CID 67988868) is (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione.
What is the SMILES notation for (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione?
The canonical SMILES for (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione is CN1C(=O)CCc2c3c(cc(F)c21)N1C(=O)O[C@@H](CNc2ccon2)[C@@H]1C3.
What is the InChIKey of (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione?
The InChIKey is SHNZTHTUVGCWBU-KBPBESRZSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-22-16(24)3-2-9-10-6-13-14(8-20-15-4-5-26-21-15)27-18(25)23(13)12(10)7-11(19)17(9)22/h4-5,7,13-14H,2-3,6,8H2,1H3,(H,20,21)/t13-,14-/m0/s1.
What are the key properties of (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione?
(14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione has a molecular weight of 372.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (14S,15S)-8-fluoro-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-13-oxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,7,9-triene-5,12-dione is sourced from PubChem (CID 67988868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).