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

C12H20N2O2 — CID 79144689

IUPACN-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1CCC1CCCO1
InChIInChI=1S/C12H20N2O2/c1-2-13-8-11-12(16-9-14-11)6-5-10-4-3-7-15-10/h9-10,13H,2-8H2,1H3
InChIKeyTYVUHUDQPWOJME-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.90
Rot. Bonds6

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

N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 79144689) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID79144689
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1CCC1CCCO1
InChIInChI=1S/C12H20N2O2/c1-2-13-8-11-12(16-9-14-11)6-5-10-4-3-7-15-10/h9-10,13H,2-8H2,1H3
InChIKeyTYVUHUDQPWOJME-UHFFFAOYSA-N
XLogP1.90
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145839
N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145817
N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159673
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718607
N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79145527
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114877624
N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine
CID 79986071
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97158340
N-[[5-bromo-2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158825
N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 54846758
N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150975

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine (CID 79144689) is N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1ncoc1CCC1CCCO1.
What is the InChIKey of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is TYVUHUDQPWOJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-13-8-11-12(16-9-14-11)6-5-10-4-3-7-15-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79144689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).