1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine

C14H18BrN3O — CID 55016075

IUPAC1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(CN(C)C(CN)c2ccc(Br)cc2)no1
InChIInChI=1S/C14H18BrN3O/c1-10-7-13(17-19-10)9-18(2)14(8-16)11-3-5-12(15)6-4-11/h3-7,14H,8-9,16H2,1-2H3
InChIKeyDYJOLUODJNOGLM-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine

1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 55016075) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID55016075
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(CN(C)C(CN)c2ccc(Br)cc2)no1
InChIInChI=1S/C14H18BrN3O/c1-10-7-13(17-19-10)9-18(2)14(8-16)11-3-5-12(15)6-4-11/h3-7,14H,8-9,16H2,1-2H3
InChIKeyDYJOLUODJNOGLM-UHFFFAOYSA-N
XLogP2.88
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine (CID 55016075) is 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine is Cc1cc(CN(C)C(CN)c2ccc(Br)cc2)no1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is DYJOLUODJNOGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-10-7-13(17-19-10)9-18(2)14(8-16)11-3-5-12(15)6-4-11/h3-7,14H,8-9,16H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine?
1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 324.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55016075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).