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

C16H21BrN2O — CID 107984140

IUPACN-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1cccc(-c2cnc(CCNC(C)(C)C)o2)c1Br
InChIInChI=1S/C16H21BrN2O/c1-11-6-5-7-12(15(11)17)13-10-18-14(20-13)8-9-19-16(2,3)4/h5-7,10,19H,8-9H2,1-4H3
InChIKeyHBIMGBYHXQTCCC-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.34
Rot. Bonds4

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

N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 107984140) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID107984140
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC NameN-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1cccc(-c2cnc(CCNC(C)(C)C)o2)c1Br
InChIInChI=1S/C16H21BrN2O/c1-11-6-5-7-12(15(11)17)13-10-18-14(20-13)8-9-19-16(2,3)4/h5-7,10,19H,8-9H2,1-4H3
InChIKeyHBIMGBYHXQTCCC-UHFFFAOYSA-N
XLogP4.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65309326
5-(2-bromo-3-methylphenyl)-2-(chloromethyl)-1,3-oxazole
CID 107984119
2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 79206242
N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 79997125
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182601
N-[2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182024
N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 80538321
1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 107984133
2-methyl-N-[3-[5-(2-methylfuran-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184735
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182553
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65185034

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 107984140) is N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is Cc1cccc(-c2cnc(CCNC(C)(C)C)o2)c1Br.
What is the InChIKey of N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is HBIMGBYHXQTCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-11-6-5-7-12(15(11)17)13-10-18-14(20-13)8-9-19-16(2,3)4/h5-7,10,19H,8-9H2,1-4H3.
What are the key properties of N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 337.26 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107984140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).