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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Related Compounds

5-(4-Bromophenyl)-1,3-oxazole
CID 2776418
5-(3-Bromophenyl)-1,3-oxazole
CID 2795565
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
Azumolene
CID 9568620
8-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methyl-2-oxooctanamide
CID 44349718
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((5-phenyl-2-oxazolyl)methyl)amino)-
CID 454392
7-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-hydroxyheptanamide
CID 44349482
7-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-hydroxyheptanamide
CID 44349491
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 66674212
5-(4-Bromophenyl)-2-phenyloxazole
CID 727545
2-(4-Bromophenyl)-5-phenyl-1,3-oxazole
CID 12282475
2-Oxazolemethanamine, N-methyl-5-phenyl-, monohydrochloride
CID 3049266

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).