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

C12H16N2O2 — CID 115062086

IUPAC[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESCOc1cccc(CC2COC(CN)=N2)c1
InChIInChI=1S/C12H16N2O2/c1-15-11-4-2-3-9(6-11)5-10-8-16-12(7-13)14-10/h2-4,6,10H,5,7-8,13H2,1H3
InChIKeyVXOCNVHLDNFFIB-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.99
Rot. Bonds4

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

[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (PubChem CID 115062086) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
PubChem CID115062086
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESCOc1cccc(CC2COC(CN)=N2)c1
InChIInChI=1S/C12H16N2O2/c1-15-11-4-2-3-9(6-11)5-10-8-16-12(7-13)14-10/h2-4,6,10H,5,7-8,13H2,1H3
InChIKeyVXOCNVHLDNFFIB-UHFFFAOYSA-N
XLogP0.99
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
CID 11580724
3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060988
[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061541
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62412644
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 3041214
4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one
CID 59801682
(4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole
CID 71698320
2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
CID 117229006

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (CID 115062086) is [4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is COc1cccc(CC2COC(CN)=N2)c1.
What is the InChIKey of [4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The InChIKey is VXOCNVHLDNFFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-15-11-4-2-3-9(6-11)5-10-8-16-12(7-13)14-10/h2-4,6,10H,5,7-8,13H2,1H3.
What are the key properties of [4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine has a molecular weight of 220.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 115062086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).