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

C11H14N2O — CID 115061536

IUPAC[5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESCc1cccc(C2CN=C(CN)O2)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(5-8)10-7-13-11(6-12)14-10/h2-5,10H,6-7,12H2,1H3
InChIKeyBXDLETKGWUJPTD-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.42
Rot. Bonds2

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

[5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine (PubChem CID 115061536) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is [5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
PubChem CID115061536
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name[5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESCc1cccc(C2CN=C(CN)O2)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(5-8)10-7-13-11(6-12)14-10/h2-5,10H,6-7,12H2,1H3
InChIKeyBXDLETKGWUJPTD-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061541
[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061563
2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84672465
5-(3-methylphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061345
[5-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061548
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 69282063
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
(4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 21131604
1-ethyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 84655385
[5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061565
6-(3-methylphenyl)-1,3-oxazinan-2-one
CID 105444857

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine (CID 115061536) is [5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine is Cc1cccc(C2CN=C(CN)O2)c1.
What is the InChIKey of [5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The InChIKey is BXDLETKGWUJPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-2-4-9(5-8)10-7-13-11(6-12)14-10/h2-5,10H,6-7,12H2,1H3.
What are the key properties of [5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
[5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine has a molecular weight of 190.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 115061536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).