5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline

C19H17N3O2 — CID 159378893

IUPAC5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline
SMILESCc1ccc(-c2cnco2)cc1.Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C10H9NO.C9H8N2O/c1-8-2-4-9(5-3-8)10-6-11-7-12-10;10-8-3-1-7(2-4-8)9-5-11-6-12-9/h2-7H,1H3;1-6H,10H2
InChIKeyLKQUAOUUFJFSKP-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.57
Rot. Bonds2

About 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline

5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline (PubChem CID 159378893) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline
PubChem CID159378893
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline
SMILESCc1ccc(-c2cnco2)cc1.Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C10H9NO.C9H8N2O/c1-8-2-4-9(5-3-8)10-6-11-7-12-10;10-8-3-1-7(2-4-8)9-5-11-6-12-9/h2-7H,1H3;1-6H,10H2
InChIKeyLKQUAOUUFJFSKP-UHFFFAOYSA-N
XLogP4.57
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-1,3-oxazole
CID 2776418
2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline
CID 134480266
benzene;5-phenyl-1,3-oxazole
CID 69095044
5-[4-(4-chlorophenyl)phenyl]-1,3-oxazole
CID 21408358
1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 22316930
5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
CID 69056314
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-methylaniline;trihydrofluoride
CID 70169513
4-methylaniline trifluoride
CID 22627679
N-ethyl-N-methyl-4-(1,3-oxazol-5-yl)aniline
CID 143735141
5-(3-fluoro-5-methylphenyl)-1,3-oxazole
CID 89094938
N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
CID 54864396

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline (CID 159378893) is 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline is Cc1ccc(-c2cnco2)cc1.Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline?
The InChIKey is LKQUAOUUFJFSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C9H8N2O/c1-8-2-4-9(5-3-8)10-6-11-7-12-10;10-8-3-1-7(2-4-8)9-5-11-6-12-9/h2-7H,1H3;1-6H,10H2.
What are the key properties of 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline?
5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline has a molecular weight of 319.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 159378893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).