2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one

C8H8N2O2 — CID 171509122

IUPAC2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one
SMILESCc1nc2c(o1)C=CC(=O)NC2
InChIInChI=1S/C8H8N2O2/c1-5-10-6-4-9-8(11)3-2-7(6)12-5/h2-3H,4H2,1H3,(H,9,11)
InChIKeyHKUWBSCWVHKYER-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.63
Rot. Bonds

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

2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one (PubChem CID 171509122) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one
PubChem CID171509122
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one
SMILESCc1nc2c(o1)C=CC(=O)NC2
InChIInChI=1S/C8H8N2O2/c1-5-10-6-4-9-8(11)3-2-7(6)12-5/h2-3H,4H2,1H3,(H,9,11)
InChIKeyHKUWBSCWVHKYER-UHFFFAOYSA-N
XLogP0.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one?
The IUPAC name of 2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one (CID 171509122) is 2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one.
What is the SMILES notation for 2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one?
The canonical SMILES for 2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one is Cc1nc2c(o1)C=CC(=O)NC2.
What is the InChIKey of 2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one?
The InChIKey is HKUWBSCWVHKYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-10-6-4-9-8(11)3-2-7(6)12-5/h2-3H,4H2,1H3,(H,9,11).
What are the key properties of 2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one?
2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one has a molecular weight of 164.16 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-c]azepin-6-one is sourced from PubChem (CID 171509122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).