(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine

C10H14N4O — CID 104942425

IUPAC(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCc1cc(Cn2cncc2[C@H](C)N)no1
InChIInChI=1S/C10H14N4O/c1-7-3-9(13-15-7)5-14-6-12-4-10(14)8(2)11/h3-4,6,8H,5,11H2,1-2H3/t8-/m0/s1
InChIKeyYCTQWDBJZGVSLT-QMMMGPOBSA-N
MW206.25 g/mol
LogP1.25
Rot. Bonds3

About (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine

(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 104942425) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID104942425
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCc1cc(Cn2cncc2[C@H](C)N)no1
InChIInChI=1S/C10H14N4O/c1-7-3-9(13-15-7)5-14-6-12-4-10(14)8(2)11/h3-4,6,8H,5,11H2,1-2H3/t8-/m0/s1
InChIKeyYCTQWDBJZGVSLT-QMMMGPOBSA-N
XLogP1.25
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine
CID 114704584
(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104943545
(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine
CID 106898402
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 114706579
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942801
(1S)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethanamine
CID 104943749
1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377508
(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943087
(1S)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943084
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942900

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine (CID 104942425) is (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine is Cc1cc(Cn2cncc2[C@H](C)N)no1.
What is the InChIKey of (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is YCTQWDBJZGVSLT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-3-9(13-15-7)5-14-6-12-4-10(14)8(2)11/h3-4,6,8H,5,11H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine?
(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 206.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).