2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one

C8H10N2O2 — CID 146641536

IUPAC2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one
SMILESCc1nc2c(o1)C(=O)NCCC2
InChIInChI=1S/C8H10N2O2/c1-5-10-6-3-2-4-9-8(11)7(6)12-5/h2-4H2,1H3,(H,9,11)
InChIKeyMOLQQIQOKIHEPO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.66
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one

2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one (PubChem CID 146641536) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one
PubChem CID146641536
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one
SMILESCc1nc2c(o1)C(=O)NCCC2
InChIInChI=1S/C8H10N2O2/c1-5-10-6-3-2-4-9-8(11)7(6)12-5/h2-4H2,1H3,(H,9,11)
InChIKeyMOLQQIQOKIHEPO-UHFFFAOYSA-N
XLogP0.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one (CID 146641536) is 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one is Cc1nc2c(o1)C(=O)NCCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one?
The InChIKey is MOLQQIQOKIHEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-10-6-3-2-4-9-8(11)7(6)12-5/h2-4H2,1H3,(H,9,11).
What are the key properties of 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one?
2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one has a molecular weight of 166.18 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 146641536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).