2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine

C14H18N2O — CID 115065571

IUPAC2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1ccccc1CC1=NC2CNCCC2O1
InChIInChI=1S/C14H18N2O/c1-10-4-2-3-5-11(10)8-14-16-12-9-15-7-6-13(12)17-14/h2-5,12-13,15H,6-9H2,1H3
InChIKeyCESKBILEGMBPCD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.70
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine

2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 115065571) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine
PubChem CID115065571
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1ccccc1CC1=NC2CNCCC2O1
InChIInChI=1S/C14H18N2O/c1-10-4-2-3-5-11(10)8-14-16-12-9-15-7-6-13(12)17-14/h2-5,12-13,15H,6-9H2,1H3
InChIKeyCESKBILEGMBPCD-UHFFFAOYSA-N
XLogP1.70
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

2-[(2-bromophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-amine
CID 115066444
3-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769826
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
1-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007163
4-methoxy-3-[(2-methylphenyl)methyl]piperidine
CID 84735198
2-methyl-4-[(2-methylphenyl)methyl]-6-piperidin-3-ylpyridine
CID 110252936
3-[2-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid
CID 115060897
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
2-[(4-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-5-amine
CID 115065981
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
pyrrolidin-3-ol;1,2-xylene
CID 142175106
4-[3-(2-methylphenyl)propyl]piperidine
CID 54301052

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine (CID 115065571) is 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine is Cc1ccccc1CC1=NC2CNCCC2O1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is CESKBILEGMBPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-2-3-5-11(10)8-14-16-12-9-15-7-6-13(12)17-14/h2-5,12-13,15H,6-9H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine?
2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 230.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 115065571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).