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

C11H16N4O — CID 106377515

IUPAC(1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
SMILESCCc1cnc(Cn2cncc2[C@@H](C)N)o1
InChIInChI=1S/C11H16N4O/c1-3-9-4-14-11(16-9)6-15-7-13-5-10(15)8(2)12/h4-5,7-8H,3,6,12H2,1-2H3/t8-/m1/s1
InChIKeyIRAQGQAPYOVPRB-MRVPVSSYSA-N
MW220.28 g/mol
LogP1.50
Rot. Bonds4

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

(1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 106377515) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID106377515
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
SMILESCCc1cnc(Cn2cncc2[C@@H](C)N)o1
InChIInChI=1S/C11H16N4O/c1-3-9-4-14-11(16-9)6-15-7-13-5-10(15)8(2)12/h4-5,7-8H,3,6,12H2,1-2H3/t8-/m1/s1
InChIKeyIRAQGQAPYOVPRB-MRVPVSSYSA-N
XLogP1.50
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine (CID 106377515) is (1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine is CCc1cnc(Cn2cncc2[C@@H](C)N)o1.
What is the InChIKey of (1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is IRAQGQAPYOVPRB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-9-4-14-11(16-9)6-15-7-13-5-10(15)8(2)12/h4-5,7-8H,3,6,12H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine?
(1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106377515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).