5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine

C12H15N3O2 — CID 117038934

IUPAC5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
SMILESCOc1cccc(N(C)Cc2cc(N)no2)c1
InChIInChI=1S/C12H15N3O2/c1-15(8-11-7-12(13)14-17-11)9-4-3-5-10(6-9)16-2/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeySILOFPQSBIRNNV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.90
Rot. Bonds4

About 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine

5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine (PubChem CID 117038934) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
PubChem CID117038934
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
SMILESCOc1cccc(N(C)Cc2cc(N)no2)c1
InChIInChI=1S/C12H15N3O2/c1-15(8-11-7-12(13)14-17-11)9-4-3-5-10(6-9)16-2/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeySILOFPQSBIRNNV-UHFFFAOYSA-N
XLogP1.90
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038114
5-[(N,3,4-trimethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038852
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117038966
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80606084
2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
CID 63189213
5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038946
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
4-bromo-3-[(3-methoxy-N-methylanilino)methyl]aniline
CID 115297677
3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
CID 112646114
3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62431150
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine (CID 117038934) is 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine is COc1cccc(N(C)Cc2cc(N)no2)c1.
What is the InChIKey of 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine?
The InChIKey is SILOFPQSBIRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(8-11-7-12(13)14-17-11)9-4-3-5-10(6-9)16-2/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine?
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine has a molecular weight of 233.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).