15-cyclopropyl-11-(3-methyl-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

C20H21N3O5 — CID 70655822

IUPAC15-cyclopropyl-11-(3-methyl-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
SMILESCc1cc(C(=O)N2CCC(=O)N(C3CC3)Cc3c2ccc2c3OCCO2)on1
InChIInChI=1S/C20H21N3O5/c1-12-10-17(28-21-12)20(25)22-7-6-18(24)23(13-2-3-13)11-14-15(22)4-5-16-19(14)27-9-8-26-16/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyVHTOSKVUOQGYOV-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.30
Rot. Bonds2

About 15-cyclopropyl-11-(3-methyl-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-(3-methyl-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 70655822) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 15-cyclopropyl-11-(3-methyl-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-(3-methyl-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 CID70655822
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name15-cyclopropyl-11-(3-methyl-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
SMILESCc1cc(C(=O)N2CCC(=O)N(C3CC3)Cc3c2ccc2c3OCCO2)on1
InChIInChI=1S/C20H21N3O5/c1-12-10-17(28-21-12)20(25)22-7-6-18(24)23(13-2-3-13)11-14-15(22)4-5-16-19(14)27-9-8-26-16/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyVHTOSKVUOQGYOV-UHFFFAOYSA-N
XLogP2.30
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-cyclopropyl-11-(3-methyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-cyclopropyl-11-(3-methyl-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-(3-methyl-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 70655822) is 15-cyclopropyl-11-(3-methyl-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-(3-methyl-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-(3-methyl-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 Cc1cc(C(=O)N2CCC(=O)N(C3CC3)Cc3c2ccc2c3OCCO2)on1.
What is the InChIKey of 15-cyclopropyl-11-(3-methyl-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 VHTOSKVUOQGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12-10-17(28-21-12)20(25)22-7-6-18(24)23(13-2-3-13)11-14-15(22)4-5-16-19(14)27-9-8-26-16/h4-5,10,13H,2-3,6-9,11H2,1H3.
What are the key properties of 15-cyclopropyl-11-(3-methyl-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-(3-methyl-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 383.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-cyclopropyl-11-(3-methyl-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 70655822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).