1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine

C13H15BrN2O — CID 115087389

IUPAC1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H15BrN2O/c1-9(15-2)7-12-8-16-13(17-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyHWDNTKBPWOFPNR-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine

1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine (PubChem CID 115087389) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
PubChem CID115087389
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H15BrN2O/c1-9(15-2)7-12-8-16-13(17-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyHWDNTKBPWOFPNR-UHFFFAOYSA-N
XLogP3.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087176
1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087175
1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087282
2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole
CID 57270447
2-[2-(4-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087329
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087326
2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole
CID 57045867
N-methyl-1-(5-quinoxalin-6-ylfuran-2-yl)propan-2-amine
CID 63086159
1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine
CID 117253792
5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 121205083
1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63086331
1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 81287175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine (CID 115087389) is 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine is CNC(C)Cc1cnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is HWDNTKBPWOFPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9(15-2)7-12-8-16-13(17-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine?
1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 295.18 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 115087389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).