methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate

C14H18N2O3 — CID 86035175

IUPACmethyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate
SMILESCOC(=O)CCCCC1=NOC(c2ccncc2)C1
InChIInChI=1S/C14H18N2O3/c1-18-14(17)5-3-2-4-12-10-13(19-16-12)11-6-8-15-9-7-11/h6-9,13H,2-5,10H2,1H3
InChIKeyNJODVVAMCDXTHO-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.63
Rot. Bonds6

About methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate

methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate (PubChem CID 86035175) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate
PubChem CID86035175
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate
SMILESCOC(=O)CCCCC1=NOC(c2ccncc2)C1
InChIInChI=1S/C14H18N2O3/c1-18-14(17)5-3-2-4-12-10-13(19-16-12)11-6-8-15-9-7-11/h6-9,13H,2-5,10H2,1H3
InChIKeyNJODVVAMCDXTHO-UHFFFAOYSA-N
XLogP2.63
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate 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

methyl 4-[(5S)-3-pentyl-4,5-dihydro-1,2-oxazol-5-yl]benzoate
CID 7319750
3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
CID 155819586
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 6-pyrimidin-4-ylhexanoate
CID 155251569
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662
methyl 3-[5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]propanoate
CID 88979520
methyl 5-[(1R,2S,6S,7S)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-en-5-yl]pentanoate
CID 11276789
methyl 9-[5-(3-methoxy-3-oxopropyl)thiophen-2-yl]nonanoate
CID 10735941
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458829
methyl 3-(3-pyridin-4-ylpropoxy)propanoate
CID 29006354
methyl 6-isoquinolin-1-ylhexanoate
CID 18979293

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate?
The IUPAC name of methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate (CID 86035175) is methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate.
What is the SMILES notation for methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate?
The canonical SMILES for methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate is COC(=O)CCCCC1=NOC(c2ccncc2)C1.
What is the InChIKey of methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate?
The InChIKey is NJODVVAMCDXTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-14(17)5-3-2-4-12-10-13(19-16-12)11-6-8-15-9-7-11/h6-9,13H,2-5,10H2,1H3.
What are the key properties of methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate?
methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate has a molecular weight of 262.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate is sourced from PubChem (CID 86035175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).