2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole

C12H20N2O — CID 105462160

IUPAC2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole
SMILESCc1oc(CC2CNC2)nc1CC(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)4-11-9(3)15-12(14-11)5-10-6-13-7-10/h8,10,13H,4-7H2,1-3H3
InChIKeyMTFNCBIKHAPINY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.94
Rot. Bonds4

About 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole

2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole (PubChem CID 105462160) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole
PubChem CID105462160
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole
SMILESCc1oc(CC2CNC2)nc1CC(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)4-11-9(3)15-12(14-11)5-10-6-13-7-10/h8,10,13H,4-7H2,1-3H3
InChIKeyMTFNCBIKHAPINY-UHFFFAOYSA-N
XLogP1.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-ylmethyl)-2-ethyl-5-methyl-1,3-oxazole
CID 105438841
2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole
CID 105482444
[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine
CID 82503114
5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole
CID 105447579
5-methyl-4-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
CID 105440469
6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 155136389
2-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 84658083
2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole
CID 115036778
4-ethyl-5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 105462178
4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 105493991
2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
CID 115036776
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole (CID 105462160) is 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole is Cc1oc(CC2CNC2)nc1CC(C)C.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole?
The InChIKey is MTFNCBIKHAPINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)4-11-9(3)15-12(14-11)5-10-6-13-7-10/h8,10,13H,4-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole?
2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole has a molecular weight of 208.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole is sourced from PubChem (CID 105462160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).