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

C13H16N2O3 — CID 75355483

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
SMILESCOc1ccc(CNc2cc(C)on2)cc1OC
InChIInChI=1S/C13H16N2O3/c1-9-6-13(15-18-9)14-8-10-4-5-11(16-2)12(7-10)17-3/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeySAFOQHIMBYNEME-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.61
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 75355483) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
PubChem CID75355483
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
SMILESCOc1ccc(CNc2cc(C)on2)cc1OC
InChIInChI=1S/C13H16N2O3/c1-9-6-13(15-18-9)14-8-10-4-5-11(16-2)12(7-10)17-3/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeySAFOQHIMBYNEME-UHFFFAOYSA-N
XLogP2.61
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109003159
5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285950
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109309877
2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide
CID 110673859
N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285912
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974051
(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507075
2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine (CID 75355483) is N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine is COc1ccc(CNc2cc(C)on2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is SAFOQHIMBYNEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-6-13(15-18-9)14-8-10-4-5-11(16-2)12(7-10)17-3/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine?
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 248.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 75355483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).