2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole

C12H18N2O — CID 177116505

IUPAC2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole
SMILESCc1nc(C2C3CN(C(C)C)CC32)co1
InChIInChI=1S/C12H18N2O/c1-7(2)14-4-9-10(5-14)12(9)11-6-15-8(3)13-11/h6-7,9-10,12H,4-5H2,1-3H3
InChIKeyFOHKJKBKHDZBDW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.04
Rot. Bonds2

About 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole

2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole (PubChem CID 177116505) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole
PubChem CID177116505
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole
SMILESCc1nc(C2C3CN(C(C)C)CC32)co1
InChIInChI=1S/C12H18N2O/c1-7(2)14-4-9-10(5-14)12(9)11-6-15-8(3)13-11/h6-7,9-10,12H,4-5H2,1-3H3
InChIKeyFOHKJKBKHDZBDW-UHFFFAOYSA-N
XLogP2.04
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole?
The IUPAC name of 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole (CID 177116505) is 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole is Cc1nc(C2C3CN(C(C)C)CC32)co1.
What is the InChIKey of 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole?
The InChIKey is FOHKJKBKHDZBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-7(2)14-4-9-10(5-14)12(9)11-6-15-8(3)13-11/h6-7,9-10,12H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole?
2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole has a molecular weight of 206.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole is sourced from PubChem (CID 177116505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).