1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine

C12H12N2O — CID 72695501

IUPAC1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine
SMILESCc1noc2c1-c1ccccc1NCC2
InChIInChI=1S/C12H12N2O/c1-8-12-9-4-2-3-5-10(9)13-7-6-11(12)15-14-8/h2-5,13H,6-7H2,1H3
InChIKeyDFRXMDCTRDZQPB-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.62
Rot. Bonds

About 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine

1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine (PubChem CID 72695501) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine
PubChem CID72695501
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine
SMILESCc1noc2c1-c1ccccc1NCC2
InChIInChI=1S/C12H12N2O/c1-8-12-9-4-2-3-5-10(9)13-7-6-11(12)15-14-8/h2-5,13H,6-7H2,1H3
InChIKeyDFRXMDCTRDZQPB-UHFFFAOYSA-N
XLogP2.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine?
The IUPAC name of 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine (CID 72695501) is 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine.
What is the SMILES notation for 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine?
The canonical SMILES for 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine is Cc1noc2c1-c1ccccc1NCC2.
What is the InChIKey of 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine?
The InChIKey is DFRXMDCTRDZQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-12-9-4-2-3-5-10(9)13-7-6-11(12)15-14-8/h2-5,13H,6-7H2,1H3.
What are the key properties of 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine?
1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine has a molecular weight of 200.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydro-4H-[1,2]oxazolo[5,4-d][1]benzazepine is sourced from PubChem (CID 72695501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).