[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate

C9H15NO4 — CID 23256152

IUPAC[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate
SMILESCCCC(=O)OCC1CC(CO)=NO1
InChIInChI=1S/C9H15NO4/c1-2-3-9(12)13-6-8-4-7(5-11)10-14-8/h8,11H,2-6H2,1H3
InChIKeyRZPCPELZAGXPOA-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.47
Rot. Bonds5

About [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate

[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate (PubChem CID 23256152) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate
PubChem CID23256152
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate
SMILESCCCC(=O)OCC1CC(CO)=NO1
InChIInChI=1S/C9H15NO4/c1-2-3-9(12)13-6-8-4-7(5-11)10-14-8/h8,11H,2-6H2,1H3
InChIKeyRZPCPELZAGXPOA-UHFFFAOYSA-N
XLogP0.47
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
oxetan-2-ylmethyl butanoate
CID 150335397
[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205
[(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate
CID 11415234
(5-butanoyloxyoxolan-2-yl)methyl butanoate
CID 144971535
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 14143956
(3-ethyloxetan-2-yl)methyl butanoate
CID 141089852
[(2R,3S,4S)-3,4-dihydroxy-5-oxooxan-2-yl]methyl butanoate
CID 24885983
[(2R,3R,4R)-3,4,5-tri(butanoyloxy)oxolan-2-yl]methyl butanoate
CID 130188370
(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate
CID 57204573
[(2R,3S,4S,5R,6R)-3,4,5,6-tetra(butanoyloxy)oxan-2-yl]methyl butanoate
CID 3079328
[(1S,2R)-5-methyl-2-propan-2-ylcyclohexyl] 3-[(5R)-5-(aminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]propanoate
CID 24839865

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate?
The IUPAC name of [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate (CID 23256152) is [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate.
What is the SMILES notation for [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate?
The canonical SMILES for [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate is CCCC(=O)OCC1CC(CO)=NO1.
What is the InChIKey of [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate?
The InChIKey is RZPCPELZAGXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-3-9(12)13-6-8-4-7(5-11)10-14-8/h8,11H,2-6H2,1H3.
What are the key properties of [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate?
[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate has a molecular weight of 201.22 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate is sourced from PubChem (CID 23256152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).