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

C13H17N3O2 — CID 117038966

IUPAC5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
SMILESCOc1ccc(CN(C)Cc2cc(N)no2)cc1
InChIInChI=1S/C13H17N3O2/c1-16(9-12-7-13(14)15-18-12)8-10-3-5-11(17-2)6-4-10/h3-7H,8-9H2,1-2H3,(H2,14,15)
InChIKeyCUNPUGFESXZSRA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.90
Rot. Bonds5

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

5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine (PubChem CID 117038966) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
PubChem CID117038966
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
SMILESCOc1ccc(CN(C)Cc2cc(N)no2)cc1
InChIInChI=1S/C13H17N3O2/c1-16(9-12-7-13(14)15-18-12)8-10-3-5-11(17-2)6-4-10/h3-7H,8-9H2,1-2H3,(H2,14,15)
InChIKeyCUNPUGFESXZSRA-UHFFFAOYSA-N
XLogP1.90
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
CID 117038958
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934
5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine
CID 117039027
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62412644
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039000
5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039040
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038114
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine (CID 117038966) is 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine is COc1ccc(CN(C)Cc2cc(N)no2)cc1.
What is the InChIKey of 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine?
The InChIKey is CUNPUGFESXZSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(9-12-7-13(14)15-18-12)8-10-3-5-11(17-2)6-4-10/h3-7H,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine?
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine has a molecular weight of 247.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).