2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine

C12H14N2O3 — CID 82290567

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine
SMILESCOc1ccc(Cc2ncc(N)o2)cc1OC
InChIInChI=1S/C12H14N2O3/c1-15-9-4-3-8(5-10(9)16-2)6-12-14-7-11(13)17-12/h3-5,7H,6,13H2,1-2H3
InChIKeyDVJVCHBUACUDKP-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.86
Rot. Bonds4

About 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine

2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine (PubChem CID 82290567) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine
PubChem CID82290567
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine
SMILESCOc1ccc(Cc2ncc(N)o2)cc1OC
InChIInChI=1S/C12H14N2O3/c1-15-9-4-3-8(5-10(9)16-2)6-12-14-7-11(13)17-12/h3-5,7H,6,13H2,1-2H3
InChIKeyDVJVCHBUACUDKP-UHFFFAOYSA-N
XLogP1.86
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-5-ethylsulfanyl-1,3,4-oxadiazole
CID 8708558
1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62859269
1-[4-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-hydroxyethanone
CID 159036950
2-benzylsulfanyl-5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole
CID 8708174
[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 119948324
2-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 8707879
5-[(3-amino-4-methoxyphenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
CID 82476663
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661
5-tert-butyl-2-[[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 59913255
4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 90681304
cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 61325866

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine (CID 82290567) is 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine is COc1ccc(Cc2ncc(N)o2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine?
The InChIKey is DVJVCHBUACUDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-9-4-3-8(5-10(9)16-2)6-12-14-7-11(13)17-12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine?
2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine has a molecular weight of 234.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 82290567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).