N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

C15H27N3O2 — CID 63706151

IUPACN-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(CN(C)CC2CCOCC2)on1
InChIInChI=1S/C15H27N3O2/c1-12(2)16-9-14-8-15(20-17-14)11-18(3)10-13-4-6-19-7-5-13/h8,12-13,16H,4-7,9-11H2,1-3H3
InChIKeyBXGIBCAOOFIIFX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.03
Rot. Bonds7

About N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 63706151) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID63706151
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(CN(C)CC2CCOCC2)on1
InChIInChI=1S/C15H27N3O2/c1-12(2)16-9-14-8-15(20-17-14)11-18(3)10-13-4-6-19-7-5-13/h8,12-13,16H,4-7,9-11H2,1-3H3
InChIKeyBXGIBCAOOFIIFX-UHFFFAOYSA-N
XLogP2.03
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63656925
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63705833
N-[[5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63864372
2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63706148
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906639
N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62423371
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]propane-1,3-diamine
CID 55227948
2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63705981
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine
CID 62423206
N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63707826
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 63706151) is N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(CN(C)CC2CCOCC2)on1.
What is the InChIKey of N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is BXGIBCAOOFIIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)16-9-14-8-15(20-17-14)11-18(3)10-13-4-6-19-7-5-13/h8,12-13,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63706151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).