4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine

C17H16N2O — CID 2384424

IUPAC4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine
SMILESCc1ccc(-c2nc(N)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2O/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19)
InChIKeyBKFNWOIDUOMJEQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.21
Rot. Bonds2

About 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine

4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine (PubChem CID 2384424) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine
PubChem CID2384424
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine
SMILESCc1ccc(-c2nc(N)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2O/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19)
InChIKeyBKFNWOIDUOMJEQ-UHFFFAOYSA-N
XLogP4.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ditazole
CID 29088
2-Amino-4,5-diphenyloxazole
CID 188210
Acetamide, N-(4,5-diphenyl-2-oxazolyl)-
CID 37200
Dimethyl-POPOP
CID 76491
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide
CID 1326381
2-[(4,5-Diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 776898
N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylbenzamide
CID 1386886
Benzilam
CID 275930
2-Oxazolepropanamide, 4,5-diphenyl-
CID 212368
1-(4,5-Diphenyl-1,3-oxazol-2-yl)methanamine
CID 214449
2-((4,5-Diphenyl-1,3-oxazol-2-yl)thio)ethanamine
CID 324144

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine (CID 2384424) is 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine is Cc1ccc(-c2nc(N)oc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine?
The InChIKey is BKFNWOIDUOMJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine?
4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine has a molecular weight of 264.33 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 2384424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).