N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine

C12H20N2O2 — CID 103275367

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCCc1cnc(CNCC2CCCOC2)o1
InChIInChI=1S/C12H20N2O2/c1-2-11-7-14-12(16-11)8-13-6-10-4-3-5-15-9-10/h7,10,13H,2-6,8-9H2,1H3
InChIKeyYGUVDDHCAFMPCZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.75
Rot. Bonds5

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 103275367) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID103275367
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCCc1cnc(CNCC2CCCOC2)o1
InChIInChI=1S/C12H20N2O2/c1-2-11-7-14-12(16-11)8-13-6-10-4-3-5-15-9-10/h7,10,13H,2-6,8-9H2,1H3
InChIKeyYGUVDDHCAFMPCZ-UHFFFAOYSA-N
XLogP1.75
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 106369698
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107167980
1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371533
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 61020728
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183995
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol
CID 64590655
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79579340
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106371299
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine (CID 103275367) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine is CCc1cnc(CNCC2CCCOC2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is YGUVDDHCAFMPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-11-7-14-12(16-11)8-13-6-10-4-3-5-15-9-10/h7,10,13H,2-6,8-9H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 224.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 103275367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).