5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline

C21H21N5O — CID 155331634

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline
SMILESCc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C21H21N5O/c1-14-5-6-17(21-15(2)23-27-16(21)3)13-20(14)25(4)18-7-9-19(10-8-18)26-12-11-22-24-26/h5-13H,1-4H3
InChIKeyZPXVNOIUGKGOOB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.62
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline (PubChem CID 155331634) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline
PubChem CID155331634
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline
SMILESCc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C21H21N5O/c1-14-5-6-17(21-15(2)23-27-16(21)3)13-20(14)25(4)18-7-9-19(10-8-18)26-12-11-22-24-26/h5-13H,1-4H3
InChIKeyZPXVNOIUGKGOOB-UHFFFAOYSA-N
XLogP4.62
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline
CID 167661572
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline
CID 155331632
N-[3-bromo-4-(triazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline
CID 155187718
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline
CID 155187755
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-imidazol-1-ylphenyl)-2-methyl-N-octylaniline
CID 166996605
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine
CID 167620071
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine
CID 155187624
N-[4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-N,2-dimethylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-imidazol-1-ylphenyl)-N,2-dimethylaniline
CID 167622321
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
3,5-dimethyl-4-[4-methyl-3-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]phenyl]-1,2-oxazole
CID 167674168
1-(3-chloro-4-methylphenyl)triazole
CID 144674616
tert-butyl 2-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)oxyacetate
CID 166996659

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline (CID 155331634) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline is Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline?
The InChIKey is ZPXVNOIUGKGOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-5-6-17(21-15(2)23-27-16(21)3)13-20(14)25(4)18-7-9-19(10-8-18)26-12-11-22-24-26/h5-13H,1-4H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline has a molecular weight of 359.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline is sourced from PubChem (CID 155331634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).