2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride

C11H16ClNO — CID 117225781

IUPAC2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCc1ccc(CC2NCCO2)cc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)8-11-12-6-7-13-11;/h2-5,11-12H,6-8H2,1H3;1H
InChIKeyPMOCKNUMCIYMRW-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.91
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride

2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride (PubChem CID 117225781) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride
PubChem CID117225781
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCc1ccc(CC2NCCO2)cc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)8-11-12-6-7-13-11;/h2-5,11-12H,6-8H2,1H3;1H
InChIKeyPMOCKNUMCIYMRW-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;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

4-(1,3-oxazolidin-2-ylmethyl)phenol
CID 117225790
2-benzyl-1,3-oxazepane
CID 67179669
(2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane
CID 11481131
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
(2R,3S)-3-methyl-2-(4-methylphenyl)morpholine
CID 93262596
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829838
(3aS,4R,8R,8aS)-4,8-bis[(4-methylphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 100984884
2-[(2-methylphenyl)methyl]-1,3-oxazinane
CID 117226029
(2R,3S)-2-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 120919526
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride (CID 117225781) is 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride is Cc1ccc(CC2NCCO2)cc1.Cl.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride?
The InChIKey is PMOCKNUMCIYMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)8-11-12-6-7-13-11;/h2-5,11-12H,6-8H2,1H3;1H.
What are the key properties of 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride?
2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117225781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).