N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine

C17H25N3O — CID 79664342

IUPACN'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine
SMILESCCN(Cc1cc(-c2ccccc2)on1)CC(C)(C)CN
InChIInChI=1S/C17H25N3O/c1-4-20(13-17(2,3)12-18)11-15-10-16(21-19-15)14-8-6-5-7-9-14/h5-10H,4,11-13,18H2,1-3H3
InChIKeyOWMSGXAIYMBTGU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.15
Rot. Bonds7

About N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine (PubChem CID 79664342) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine
PubChem CID79664342
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine
SMILESCCN(Cc1cc(-c2ccccc2)on1)CC(C)(C)CN
InChIInChI=1S/C17H25N3O/c1-4-20(13-17(2,3)12-18)11-15-10-16(21-19-15)14-8-6-5-7-9-14/h5-10H,4,11-13,18H2,1-3H3
InChIKeyOWMSGXAIYMBTGU-UHFFFAOYSA-N
XLogP3.15
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine (CID 79664342) is N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine is CCN(Cc1cc(-c2ccccc2)on1)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is OWMSGXAIYMBTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20(13-17(2,3)12-18)11-15-10-16(21-19-15)14-8-6-5-7-9-14/h5-10H,4,11-13,18H2,1-3H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79664342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).