N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine

C12H20N2O — CID 106370529

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
SMILESCc1nc(CNC(C)C2(C)CC2)oc1C
InChIInChI=1S/C12H20N2O/c1-8-9(2)15-11(14-8)7-13-10(3)12(4)5-6-12/h10,13H,5-7H2,1-4H3
InChIKeyQSNNXHLJUIJFQI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.57
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine (PubChem CID 106370529) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
PubChem CID106370529
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
SMILESCc1nc(CNC(C)C2(C)CC2)oc1C
InChIInChI=1S/C12H20N2O/c1-8-9(2)15-11(14-8)7-13-10(3)12(4)5-6-12/h10,13H,5-7H2,1-4H3
InChIKeyQSNNXHLJUIJFQI-UHFFFAOYSA-N
XLogP2.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine (CID 106370529) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine is Cc1nc(CNC(C)C2(C)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine?
The InChIKey is QSNNXHLJUIJFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-9(2)15-11(14-8)7-13-10(3)12(4)5-6-12/h10,13H,5-7H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine has a molecular weight of 208.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine is sourced from PubChem (CID 106370529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).