4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline

C22H20N2O2 — CID 142897917

IUPAC4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline
SMILESCNc1ccc(OC)c(-c2nc3cc(-c4ccc(C)cc4)ccc3o2)c1
InChIInChI=1S/C22H20N2O2/c1-14-4-6-15(7-5-14)16-8-10-21-19(12-16)24-22(26-21)18-13-17(23-2)9-11-20(18)25-3/h4-13,23H,1-3H3
InChIKeyZUCIMIOJFVQHJB-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.52
Rot. Bonds4

About 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline

4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline (PubChem CID 142897917) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline
PubChem CID142897917
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline
SMILESCNc1ccc(OC)c(-c2nc3cc(-c4ccc(C)cc4)ccc3o2)c1
InChIInChI=1S/C22H20N2O2/c1-14-4-6-15(7-5-14)16-8-10-21-19(12-16)24-22(26-21)18-13-17(23-2)9-11-20(18)25-3/h4-13,23H,1-3H3
InChIKeyZUCIMIOJFVQHJB-UHFFFAOYSA-N
XLogP5.52
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.52
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

4-methoxy-N-methyl-3-[5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]aniline
CID 142897919
3-[5-(1,3-benzodioxol-5-yl)-1,3-benzoxazol-2-yl]-4-methoxy-N-methylaniline
CID 142897934
3-[5-(1-benzofuran-2-yl)-1,3-benzoxazol-2-yl]-4-methoxy-N-methylaniline
CID 142897921
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole
CID 91684040
N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
CID 25211761
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1341227
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
N-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)pyridin-1-ium-2-amine
CID 6986516

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline?
The IUPAC name of 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline (CID 142897917) is 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline.
What is the SMILES notation for 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline?
The canonical SMILES for 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline is CNc1ccc(OC)c(-c2nc3cc(-c4ccc(C)cc4)ccc3o2)c1.
What is the InChIKey of 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline?
The InChIKey is ZUCIMIOJFVQHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-4-6-15(7-5-14)16-8-10-21-19(12-16)24-22(26-21)18-13-17(23-2)9-11-20(18)25-3/h4-13,23H,1-3H3.
What are the key properties of 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline?
4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline has a molecular weight of 344.41 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline is sourced from PubChem (CID 142897917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).