1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate

C14H16N2O3 — CID 3060870

IUPAC1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate
SMILESCCCC(=O)OCC1Cn2c(nc3ccccc32)O1
InChIInChI=1S/C14H16N2O3/c1-2-5-13(17)18-9-10-8-16-12-7-4-3-6-11(12)15-14(16)19-10/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyJEEFGKGADANBOY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.14
Rot. Bonds4

About 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate

1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate (PubChem CID 3060870) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate.

Molecular Properties

Compound Name1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate
PubChem CID3060870
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate
SMILESCCCC(=O)OCC1Cn2c(nc3ccccc32)O1
InChIInChI=1S/C14H16N2O3/c1-2-5-13(17)18-9-10-8-16-12-7-4-3-6-11(12)15-14(16)19-10/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyJEEFGKGADANBOY-UHFFFAOYSA-N
XLogP2.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester
CID 761836
Ethyl 1H-benzimidazole-1-acetate
CID 171417
Ethyl 1-methyl-1H-benzo[d]imidazole-2-carboxylate
CID 12447150
methyl (2-methyl-1H-benzimidazol-1-yl)acetate
CID 974228
1-(2-Ethoxyethyl)-2-ethyl-1H-benzimidazole
CID 3155314
1-Butoxy-3-(2-methyl-benzoimidazol-1-yl)-propan-2-ol
CID 653128
3-{1-[2-(2-methoxyethoxy)ethyl]-1H-benzimidazol-2-yl}-1-propanol
CID 2947583
1-[1-(2-Ethoxy-ethyl)-1H-benzoimidazol-2-yl]-ethanol
CID 3155709
(S)-1-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 46889258
2-[acetyl(1-butyl-1H-benzimidazol-2-yl)amino]ethyl acetate
CID 3241959
Methyl 2-methyl-9-propyl-9H-imidazo[1,2-A][1,3]benzimidazole-3-carboxylate
CID 761903
ethyl 3-(2-(2-ethoxy-2-oxoethyl)-1H-benzo[d]imidazol-1-yl)propanoate hydrochloride hydrate
CID 2847331

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate?
The IUPAC name of 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate (CID 3060870) is 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate.
What is the SMILES notation for 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate?
The canonical SMILES for 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate is CCCC(=O)OCC1Cn2c(nc3ccccc32)O1.
What is the InChIKey of 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate?
The InChIKey is JEEFGKGADANBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-5-13(17)18-9-10-8-16-12-7-4-3-6-11(12)15-14(16)19-10/h3-4,6-7,10H,2,5,8-9H2,1H3.
What are the key properties of 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate?
1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate has a molecular weight of 260.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl butanoate is sourced from PubChem (CID 3060870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).