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

C16H25N3OS — CID 56661836

IUPACN,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CC)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C16H25N3OS/c1-4-18(5-2)9-10-19(6-3)12-14-13-20-16(17-14)15-8-7-11-21-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyJLNFQABAGVRXAS-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.57
Rot. Bonds9

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

N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 56661836) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID56661836
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CC)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C16H25N3OS/c1-4-18(5-2)9-10-19(6-3)12-14-13-20-16(17-14)15-8-7-11-21-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyJLNFQABAGVRXAS-UHFFFAOYSA-N
XLogP3.57
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine (CID 56661836) is N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine is CCN(CC)CCN(CC)Cc1coc(-c2cccs2)n1.
What is the InChIKey of N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is JLNFQABAGVRXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-18(5-2)9-10-19(6-3)12-14-13-20-16(17-14)15-8-7-11-21-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3.
What are the key properties of N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 307.46 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 56661836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).