2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine

C13H14N4O — CID 107496504

IUPAC2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
SMILESCc1cccc2oc(-c3cn(CCN)cn3)nc12
InChIInChI=1S/C13H14N4O/c1-9-3-2-4-11-12(9)16-13(18-11)10-7-17(6-5-14)8-15-10/h2-4,7-8H,5-6,14H2,1H3
InChIKeyQJEVOUQKBLZQNO-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.96
Rot. Bonds3

About 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine

2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine (PubChem CID 107496504) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
PubChem CID107496504
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
SMILESCc1cccc2oc(-c3cn(CCN)cn3)nc12
InChIInChI=1S/C13H14N4O/c1-9-3-2-4-11-12(9)16-13(18-11)10-7-17(6-5-14)8-15-10/h2-4,7-8H,5-6,14H2,1H3
InChIKeyQJEVOUQKBLZQNO-UHFFFAOYSA-N
XLogP1.96
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(7-bromo-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
CID 107496526
5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 107496445
2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496193
2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
CID 91662919
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496402
2-[4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496230
2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole
CID 118068473
3,4-dimethyl-5-(4-methyl-1,3-benzoxazol-2-yl)aniline
CID 63019646
[4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 55249769
2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine
CID 82281310
2-[4-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
CID 107496537
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine
CID 107498632

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine (CID 107496504) is 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine is Cc1cccc2oc(-c3cn(CCN)cn3)nc12.
What is the InChIKey of 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine?
The InChIKey is QJEVOUQKBLZQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-3-2-4-11-12(9)16-13(18-11)10-7-17(6-5-14)8-15-10/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine?
2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine has a molecular weight of 242.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 107496504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).