4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline

C18H18N2O2 — CID 56672873

IUPAC4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
SMILESCOc1ccc(NCc2coc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-5-14(6-4-13)18-20-16(12-22-18)11-19-15-7-9-17(21-2)10-8-15/h3-10,12,19H,11H2,1-2H3
InChIKeyINNOOLLLPQHSJG-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.27
Rot. Bonds5

About 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline

4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline (PubChem CID 56672873) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
PubChem CID56672873
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
SMILESCOc1ccc(NCc2coc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-5-14(6-4-13)18-20-16(12-22-18)11-19-15-7-9-17(21-2)10-8-15/h3-10,12,19H,11H2,1-2H3
InChIKeyINNOOLLLPQHSJG-UHFFFAOYSA-N
XLogP4.27
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56672439
4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
CID 166339062
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111590527
3-fluoro-5-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-nitroaniline
CID 133341410
1-[3-(4-methoxyphenoxy)propyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111592021
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68983390
5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine
CID 56679135
N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine
CID 133484985

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline?
The IUPAC name of 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline (CID 56672873) is 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline is COc1ccc(NCc2coc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline?
The InChIKey is INNOOLLLPQHSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-3-5-14(6-4-13)18-20-16(12-22-18)11-19-15-7-9-17(21-2)10-8-15/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline?
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline has a molecular weight of 294.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline is sourced from PubChem (CID 56672873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).