N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine

C11H21N3O — CID 60719969

IUPACN',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1cc(C)no1
InChIInChI=1S/C11H21N3O/c1-4-14(5-2)7-6-12-9-11-8-10(3)13-15-11/h8,12H,4-7,9H2,1-3H3
InChIKeyPWLPFBPGWAQIRX-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.41
Rot. Bonds7

About N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 60719969) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID60719969
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1cc(C)no1
InChIInChI=1S/C11H21N3O/c1-4-14(5-2)7-6-12-9-11-8-10(3)13-15-11/h8,12H,4-7,9H2,1-3H3
InChIKeyPWLPFBPGWAQIRX-UHFFFAOYSA-N
XLogP1.41
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 82594380
N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 114820520
1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 64800108
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 64771454
5-[[2-(diethylamino)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103234085
2-N,2-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propane-1,2-diamine
CID 62846772
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol
CID 76926965
N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide
CID 77032798
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
N',N'-diethyl-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 4720465
5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
CID 48944715

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (CID 60719969) is N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1cc(C)no1.
What is the InChIKey of N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is PWLPFBPGWAQIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-14(5-2)7-6-12-9-11-8-10(3)13-15-11/h8,12H,4-7,9H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 211.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 60719969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).