(14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione

C17H16N4O5 — CID 67988867

IUPAC(14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione
SMILESCN1C(=O)COc2c1ccc1c2C[C@H]2[C@H](CNc3ccon3)OC(=O)N12
InChIInChI=1S/C17H16N4O5/c1-20-11-3-2-10-9(16(11)24-8-15(20)22)6-12-13(26-17(23)21(10)12)7-18-14-4-5-25-19-14/h2-5,12-13H,6-8H2,1H3,(H,18,19)/t12-,13-/m0/s1
InChIKeySLEKDAZIZOMRAS-STQMWFEESA-N
MW356.34 g/mol
LogP1.39
Rot. Bonds3

About (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione

(14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione (PubChem CID 67988867) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione.

Molecular Properties

Compound Name(14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione
PubChem CID67988867
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Name(14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione
SMILESCN1C(=O)COc2c1ccc1c2C[C@H]2[C@H](CNc3ccon3)OC(=O)N12
InChIInChI=1S/C17H16N4O5/c1-20-11-3-2-10-9(16(11)24-8-15(20)22)6-12-13(26-17(23)21(10)12)7-18-14-4-5-25-19-14/h2-5,12-13H,6-8H2,1H3,(H,18,19)/t12-,13-/m0/s1
InChIKeySLEKDAZIZOMRAS-STQMWFEESA-N
XLogP1.39
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione?
The IUPAC name of (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione (CID 67988867) is (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione.
What is the SMILES notation for (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione?
The canonical SMILES for (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione is CN1C(=O)COc2c1ccc1c2C[C@H]2[C@H](CNc3ccon3)OC(=O)N12.
What is the InChIKey of (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione?
The InChIKey is SLEKDAZIZOMRAS-STQMWFEESA-N. The full InChI is InChI=1S/C17H16N4O5/c1-20-11-3-2-10-9(16(11)24-8-15(20)22)6-12-13(26-17(23)21(10)12)7-18-14-4-5-25-19-14/h2-5,12-13H,6-8H2,1H3,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione?
(14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione has a molecular weight of 356.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (14S,15S)-6-methyl-14-[(1,2-oxazol-3-ylamino)methyl]-3,13-dioxa-6,11-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),8-triene-5,12-dione is sourced from PubChem (CID 67988867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).