methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride

C11H17ClN2O3 — CID 172630249

IUPACmethyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2cc(C)on2)CCNCC1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-8-7-9(13-16-8)11(10(14)15-2)3-5-12-6-4-11;/h7,12H,3-6H2,1-2H3;1H
InChIKeyFLQMARUBCFILDS-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.20
Rot. Bonds2

About methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride

methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride (PubChem CID 172630249) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride
PubChem CID172630249
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Namemethyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2cc(C)on2)CCNCC1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-8-7-9(13-16-8)11(10(14)15-2)3-5-12-6-4-11;/h7,12H,3-6H2,1-2H3;1H
InChIKeyFLQMARUBCFILDS-UHFFFAOYSA-N
XLogP1.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride 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

1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate
CID 172630737
N-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 126421397
1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 126420941
4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid
CID 96776388
methyl 1-(5-dodecyl-1,2-oxazol-3-yl)cyclopentane-1-carboxylate
CID 10642484
N-(4-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
CID 126421332
4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 63122936
methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate
CID 169447954
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-3-carboxamide
CID 63141092
methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate
CID 156502964
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride
CID 119838834
methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 138990951

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride (CID 172630249) is methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride is COC(=O)C1(c2cc(C)on2)CCNCC1.Cl.
What is the InChIKey of methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is FLQMARUBCFILDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.ClH/c1-8-7-9(13-16-8)11(10(14)15-2)3-5-12-6-4-11;/h7,12H,3-6H2,1-2H3;1H.
What are the key properties of methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride?
methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 260.72 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 172630249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).