N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

C15H19BrN2O — CID 65181758

IUPACN-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2ccc(Br)cc2C)o1
InChIInChI=1S/C15H19BrN2O/c1-4-7-17-11(3)15-18-9-14(19-15)13-6-5-12(16)8-10(13)2/h5-6,8-9,11,17H,4,7H2,1-3H3
InChIKeyAYZCJQIZIWVIOG-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.47
Rot. Bonds5

About N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65181758) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65181758
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2ccc(Br)cc2C)o1
InChIInChI=1S/C15H19BrN2O/c1-4-7-17-11(3)15-18-9-14(19-15)13-6-5-12(16)8-10(13)2/h5-6,8-9,11,17H,4,7H2,1-3H3
InChIKeyAYZCJQIZIWVIOG-UHFFFAOYSA-N
XLogP4.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65181758) is N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(-c2ccc(Br)cc2C)o1.
What is the InChIKey of N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is AYZCJQIZIWVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-7-17-11(3)15-18-9-14(19-15)13-6-5-12(16)8-10(13)2/h5-6,8-9,11,17H,4,7H2,1-3H3.
What are the key properties of N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 323.23 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65181758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).