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

C12H17N3O2 — CID 114231162

IUPACN'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C12H17N3O2/c1-2-15(6-5-13)9-10-8-12(17-14-10)11-4-3-7-16-11/h3-4,7-8H,2,5-6,9,13H2,1H3
InChIKeyXPVUJXQIAYPRGI-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.72
Rot. Bonds6

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

N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine (PubChem CID 114231162) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine
PubChem CID114231162
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C12H17N3O2/c1-2-15(6-5-13)9-10-8-12(17-14-10)11-4-3-7-16-11/h3-4,7-8H,2,5-6,9,13H2,1H3
InChIKeyXPVUJXQIAYPRGI-UHFFFAOYSA-N
XLogP1.72
TPSA68.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615340
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485818
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
CID 66186647
4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide
CID 26675758
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline
CID 112844139
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716596
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine (CID 114231162) is N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine is CCN(CCN)Cc1cc(-c2ccco2)on1.
What is the InChIKey of N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is XPVUJXQIAYPRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-15(6-5-13)9-10-8-12(17-14-10)11-4-3-7-16-11/h3-4,7-8H,2,5-6,9,13H2,1H3.
What are the key properties of N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine?
N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 235.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 114231162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).