N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine

C15H23N3OS — CID 56659009

IUPACN',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C15H23N3OS/c1-4-18(5-2)9-8-17(3)11-13-12-19-15(16-13)14-7-6-10-20-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyGGLMEXJEMKKSDH-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.18
Rot. Bonds8

About N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 56659009) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID56659009
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C15H23N3OS/c1-4-18(5-2)9-8-17(3)11-13-12-19-15(16-13)14-7-6-10-20-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyGGLMEXJEMKKSDH-UHFFFAOYSA-N
XLogP3.18
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine (CID 56659009) is N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine is CCN(CC)CCN(C)Cc1coc(-c2cccs2)n1.
What is the InChIKey of N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is GGLMEXJEMKKSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-18(5-2)9-8-17(3)11-13-12-19-15(16-13)14-7-6-10-20-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 293.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 56659009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).