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

C17H15BrN2O — CID 107982879

IUPAC3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3cccc(C)c3Br)noc2N)cc1
InChIInChI=1S/C17H15BrN2O/c1-10-6-8-12(9-7-10)14-16(20-21-17(14)19)13-5-3-4-11(2)15(13)18/h3-9H,19H2,1-2H3
InChIKeySITRKAZQIAVBNM-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.97
Rot. Bonds2

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

3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 107982879) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID107982879
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3cccc(C)c3Br)noc2N)cc1
InChIInChI=1S/C17H15BrN2O/c1-10-6-8-12(9-7-10)14-16(20-21-17(14)19)13-5-3-4-11(2)15(13)18/h3-9H,19H2,1-2H3
InChIKeySITRKAZQIAVBNM-UHFFFAOYSA-N
XLogP4.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (CID 107982879) is 3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2c(-c3cccc(C)c3Br)noc2N)cc1.
What is the InChIKey of 3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is SITRKAZQIAVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-10-6-8-12(9-7-10)14-16(20-21-17(14)19)13-5-3-4-11(2)15(13)18/h3-9H,19H2,1-2H3.
What are the key properties of 3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 343.22 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107982879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).