2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine

C10H14N4O — CID 106417768

IUPAC2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
SMILESCc1nccn1CCNCc1ccno1
InChIInChI=1S/C10H14N4O/c1-9-12-5-7-14(9)6-4-11-8-10-2-3-13-15-10/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyZDLAFTGKRNQJLY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.97
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine

2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine (PubChem CID 106417768) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
PubChem CID106417768
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
SMILESCc1nccn1CCNCc1ccno1
InChIInChI=1S/C10H14N4O/c1-9-12-5-7-14(9)6-4-11-8-10-2-3-13-15-10/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyZDLAFTGKRNQJLY-UHFFFAOYSA-N
XLogP0.97
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-methylimidazol-1-yl)ethylamino]methyl]phenol
CID 114331892
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 62538462
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
CID 107844722
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905476
4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61493258
2-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106429372
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411
4-(2-chloroethyl)-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 65025844

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine (CID 106417768) is 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine is Cc1nccn1CCNCc1ccno1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine?
The InChIKey is ZDLAFTGKRNQJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-9-12-5-7-14(9)6-4-11-8-10-2-3-13-15-10/h2-3,5,7,11H,4,6,8H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine?
2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine has a molecular weight of 206.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 106417768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).