1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine

C15H13BrN2O — CID 115354582

IUPAC1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C15H13BrN2O/c1-17-9-15-18-8-14(19-15)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-8,17H,9H2,1H3
InChIKeyNHGYMIZMSUVNOA-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.98
Rot. Bonds3

About 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine

1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine (PubChem CID 115354582) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
PubChem CID115354582
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C15H13BrN2O/c1-17-9-15-18-8-14(19-15)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-8,17H,9H2,1H3
InChIKeyNHGYMIZMSUVNOA-UHFFFAOYSA-N
XLogP3.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 113292812
2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 115354580
1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179261
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
1-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 82879726
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 107994677
1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178557
1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179211
N-(6-bromonaphthalen-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106963464
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81488017
N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179268
N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183258

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine (CID 115354582) is 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2ccc3cc(Br)ccc3c2)o1.
What is the InChIKey of 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The InChIKey is NHGYMIZMSUVNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-17-9-15-18-8-14(19-15)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-8,17H,9H2,1H3.
What are the key properties of 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine?
1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine has a molecular weight of 317.19 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115354582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).