4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine

C17H15BrN2O — CID 62829297

IUPAC4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine
SMILESCCc1ccc(-c2noc(N)c2-c2ccccc2Br)cc1
InChIInChI=1S/C17H15BrN2O/c1-2-11-7-9-12(10-8-11)16-15(17(19)21-20-16)13-5-3-4-6-14(13)18/h3-10H,2,19H2,1H3
InChIKeySROMJLXOQKAPRV-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.92
Rot. Bonds3

About 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine

4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine (PubChem CID 62829297) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine
PubChem CID62829297
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine
SMILESCCc1ccc(-c2noc(N)c2-c2ccccc2Br)cc1
InChIInChI=1S/C17H15BrN2O/c1-2-11-7-9-12(10-8-11)16-15(17(19)21-20-16)13-5-3-4-6-14(13)18/h3-10H,2,19H2,1H3
InChIKeySROMJLXOQKAPRV-UHFFFAOYSA-N
XLogP4.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine (CID 62829297) is 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine is CCc1ccc(-c2noc(N)c2-c2ccccc2Br)cc1.
What is the InChIKey of 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is SROMJLXOQKAPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-2-11-7-9-12(10-8-11)16-15(17(19)21-20-16)13-5-3-4-6-14(13)18/h3-10H,2,19H2,1H3.
What are the key properties of 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine?
4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 343.22 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62829297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).