3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole

C12H17N3O2 — CID 97065568

IUPAC3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCO[C@H](C)c1nccn1Cc1cc(C)on1
InChIInChI=1S/C12H17N3O2/c1-4-16-10(3)12-13-5-6-15(12)8-11-7-9(2)17-14-11/h5-7,10H,4,8H2,1-3H3/t10-/m1/s1
InChIKeyNOWDPBYSTBBUFJ-SNVBAGLBSA-N
MW235.29 g/mol
LogP2.33
Rot. Bonds5

About 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 97065568) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID97065568
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCO[C@H](C)c1nccn1Cc1cc(C)on1
InChIInChI=1S/C12H17N3O2/c1-4-16-10(3)12-13-5-6-15(12)8-11-7-9(2)17-14-11/h5-7,10H,4,8H2,1-3H3/t10-/m1/s1
InChIKeyNOWDPBYSTBBUFJ-SNVBAGLBSA-N
XLogP2.33
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole (CID 97065568) is 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole is CCO[C@H](C)c1nccn1Cc1cc(C)on1.
What is the InChIKey of 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is NOWDPBYSTBBUFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-16-10(3)12-13-5-6-15(12)8-11-7-9(2)17-14-11/h5-7,10H,4,8H2,1-3H3/t10-/m1/s1.
What are the key properties of 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 235.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 97065568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).