[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

C11H14N2O — CID 95348459

IUPAC[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(C2=NO[C@@H](CN)C2)cc1
InChIInChI=1S/C11H14N2O/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-5,10H,6-7,12H2,1H3/t10-/m1/s1
InChIKeyWGODSOINPJVQMD-SNVBAGLBSA-N
MW190.25 g/mol
LogP1.45
Rot. Bonds2

About [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 95348459) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID95348459
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCc1ccc(C2=NO[C@@H](CN)C2)cc1
InChIInChI=1S/C11H14N2O/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-5,10H,6-7,12H2,1H3/t10-/m1/s1
InChIKeyWGODSOINPJVQMD-SNVBAGLBSA-N
XLogP1.45
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 95348408
[3-(4-pyridin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 18698754
[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 104823799
N-methyl-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 42789312
[3-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 102555158
methyl 4-[5-(aminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate
CID 133180331
3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
CID 23542518
(5R)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 139187390
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 6420656
5-pentyl-3-[4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 86091004
2-[3-(3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456448
N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclopropanecarboxamide
CID 24715343

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 95348459) is [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is Cc1ccc(C2=NO[C@@H](CN)C2)cc1.
What is the InChIKey of [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is WGODSOINPJVQMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-5,10H,6-7,12H2,1H3/t10-/m1/s1.
What are the key properties of [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 190.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 95348459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).