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

C12H16N2O — CID 115061563

IUPAC[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESCc1cccc(CC2CN=C(CN)O2)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10(5-9)6-11-8-14-12(7-13)15-11/h2-5,11H,6-8,13H2,1H3
InChIKeyNZNZMQPSJGOWMO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.29
Rot. Bonds3

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

[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (PubChem CID 115061563) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
PubChem CID115061563
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESCc1cccc(CC2CN=C(CN)O2)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10(5-9)6-11-8-14-12(7-13)15-11/h2-5,11H,6-8,13H2,1H3
InChIKeyNZNZMQPSJGOWMO-UHFFFAOYSA-N
XLogP1.29
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061565
[5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061536
2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061594
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
4-methyl-2-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229536
2-[5-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061610
4-[(3-methylphenyl)methyl]oxolan-3-amine
CID 83484011
2-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 82228787
(3-methylphenyl)methanamine;4-methylpyridine
CID 142051199
5-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole-2-carboxylic acid
CID 115061684
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (CID 115061563) is [5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is Cc1cccc(CC2CN=C(CN)O2)c1.
What is the InChIKey of [5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The InChIKey is NZNZMQPSJGOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-3-2-4-10(5-9)6-11-8-14-12(7-13)15-11/h2-5,11H,6-8,13H2,1H3.
What are the key properties of [5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine has a molecular weight of 204.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 115061563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).