N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine

C15H25N3O — CID 55070156

IUPACN-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESC=CCN(CC=C)Cc1cc(CNC(C)(C)C)no1
InChIInChI=1S/C15H25N3O/c1-6-8-18(9-7-2)12-14-10-13(17-19-14)11-16-15(3,4)5/h6-7,10,16H,1-2,8-9,11-12H2,3-5H3
InChIKeyLPZXMCQTQLDLJX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds8

About N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55070156) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID55070156
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESC=CCN(CC=C)Cc1cc(CNC(C)(C)C)no1
InChIInChI=1S/C15H25N3O/c1-6-8-18(9-7-2)12-14-10-13(17-19-14)11-16-15(3,4)5/h6-7,10,16H,1-2,8-9,11-12H2,3-5H3
InChIKeyLPZXMCQTQLDLJX-UHFFFAOYSA-N
XLogP2.74
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62438068
N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62439185
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 81067481
N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429311
2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63705981
N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62439087
2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449512
N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62547549
N-[[5-[3-(dimethylamino)propoxymethyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62460604
N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459576
2-methyl-N-[[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 82957332
2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 55055081

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (CID 55070156) is N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is C=CCN(CC=C)Cc1cc(CNC(C)(C)C)no1.
What is the InChIKey of N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LPZXMCQTQLDLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-8-18(9-7-2)12-14-10-13(17-19-14)11-16-15(3,4)5/h6-7,10,16H,1-2,8-9,11-12H2,3-5H3.
What are the key properties of N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55070156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).