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

C11H20N2O — CID 114877624

IUPACN-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1CC(C)CC
InChIInChI=1S/C11H20N2O/c1-4-9(3)6-11-10(7-12-5-2)13-8-14-11/h8-9,12H,4-7H2,1-3H3
InChIKeyFPMYMORCKCEHBU-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.37
Rot. Bonds6

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

N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 114877624) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID114877624
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1CC(C)CC
InChIInChI=1S/C11H20N2O/c1-4-9(3)6-11-10(7-12-5-2)13-8-14-11/h8-9,12H,4-7H2,1-3H3
InChIKeyFPMYMORCKCEHBU-UHFFFAOYSA-N
XLogP2.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol
CID 114877640
N-[(5-propyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79146098
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145263
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144683
5-(2-methylpropyl)-4-propyl-1,3-oxazole
CID 88974463
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 79144689
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144806
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112605899
N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114824029
N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79145527
N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79145769
N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146016

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 114877624) is N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1ncoc1CC(C)CC.
What is the InChIKey of N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is FPMYMORCKCEHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9(3)6-11-10(7-12-5-2)13-8-14-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 196.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114877624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).