15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one

C19H19N3O5 — CID 52939152

IUPAC15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one
SMILESO=C(c1ccno1)N1CCC(=O)N(C2CC2)Cc2c1ccc1c2OCCO1
InChIInChI=1S/C19H19N3O5/c23-17-6-8-21(19(24)16-5-7-20-27-16)14-3-4-15-18(26-10-9-25-15)13(14)11-22(17)12-1-2-12/h3-5,7,12H,1-2,6,8-11H2
InChIKeyRZVOSJXROUNDBE-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.99
Rot. Bonds2

About 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one

15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one (PubChem CID 52939152) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one.

Molecular Properties

Compound Name15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one
PubChem CID52939152
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one
SMILESO=C(c1ccno1)N1CCC(=O)N(C2CC2)Cc2c1ccc1c2OCCO1
InChIInChI=1S/C19H19N3O5/c23-17-6-8-21(19(24)16-5-7-20-27-16)14-3-4-15-18(26-10-9-25-15)13(14)11-22(17)12-1-2-12/h3-5,7,12H,1-2,6,8-11H2
InChIKeyRZVOSJXROUNDBE-UHFFFAOYSA-N
XLogP1.99
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one?
The IUPAC name of 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one (CID 52939152) is 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one.
What is the SMILES notation for 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one?
The canonical SMILES for 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one is O=C(c1ccno1)N1CCC(=O)N(C2CC2)Cc2c1ccc1c2OCCO1.
What is the InChIKey of 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one?
The InChIKey is RZVOSJXROUNDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-17-6-8-21(19(24)16-5-7-20-27-16)14-3-4-15-18(26-10-9-25-15)13(14)11-22(17)12-1-2-12/h3-5,7,12H,1-2,6,8-11H2.
What are the key properties of 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one?
15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one has a molecular weight of 369.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-cyclopropyl-11-(1,2-oxazole-5-carbonyl)-3,6-dioxa-11,15-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),8-trien-14-one is sourced from PubChem (CID 52939152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).