3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one

C9H13N3O2 — CID 82373307

IUPAC3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one
SMILESCc1onc2c1NC(C)(C)C(=O)NC2
InChIInChI=1S/C9H13N3O2/c1-5-7-6(12-14-5)4-10-8(13)9(2,3)11-7/h11H,4H2,1-3H3,(H,10,13)
InChIKeyZLRQYLOVQGIDLW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.80
Rot. Bonds

About 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one

3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one (PubChem CID 82373307) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one.

Molecular Properties

Compound Name3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one
PubChem CID82373307
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one
SMILESCc1onc2c1NC(C)(C)C(=O)NC2
InChIInChI=1S/C9H13N3O2/c1-5-7-6(12-14-5)4-10-8(13)9(2,3)11-7/h11H,4H2,1-3H3,(H,10,13)
InChIKeyZLRQYLOVQGIDLW-UHFFFAOYSA-N
XLogP0.80
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one?
The IUPAC name of 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one (CID 82373307) is 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one.
What is the SMILES notation for 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one?
The canonical SMILES for 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one is Cc1onc2c1NC(C)(C)C(=O)NC2.
What is the InChIKey of 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one?
The InChIKey is ZLRQYLOVQGIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-7-6(12-14-5)4-10-8(13)9(2,3)11-7/h11H,4H2,1-3H3,(H,10,13).
What are the key properties of 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one?
3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one is sourced from PubChem (CID 82373307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).