(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone

C10H12N2O2 — CID 67987593

IUPAC(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone
SMILESCN1CC2C(C1)C2C(=O)c1ncco1
InChIInChI=1S/C10H12N2O2/c1-12-4-6-7(5-12)8(6)9(13)10-11-2-3-14-10/h2-3,6-8H,4-5H2,1H3
InChIKeyKOYIFTKUMRJJEM-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.66
Rot. Bonds2

About (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone

(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone (PubChem CID 67987593) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone
PubChem CID67987593
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone
SMILESCN1CC2C(C1)C2C(=O)c1ncco1
InChIInChI=1S/C10H12N2O2/c1-12-4-6-7(5-12)8(6)9(13)10-11-2-3-14-10/h2-3,6-8H,4-5H2,1H3
InChIKeyKOYIFTKUMRJJEM-UHFFFAOYSA-N
XLogP0.66
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone?
The IUPAC name of (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone (CID 67987593) is (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone.
What is the SMILES notation for (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone?
The canonical SMILES for (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone is CN1CC2C(C1)C2C(=O)c1ncco1.
What is the InChIKey of (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone?
The InChIKey is KOYIFTKUMRJJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-12-4-6-7(5-12)8(6)9(13)10-11-2-3-14-10/h2-3,6-8H,4-5H2,1H3.
What are the key properties of (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone?
(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone has a molecular weight of 192.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-(1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67987593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).