N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine

C16H21BrN2O — CID 56662054

IUPACN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine
SMILESCC(NCc1coc(-c2ccccc2Br)n1)C(C)(C)C
InChIInChI=1S/C16H21BrN2O/c1-11(16(2,3)4)18-9-12-10-20-15(19-12)13-7-5-6-8-14(13)17/h5-8,10-11,18H,9H2,1-4H3
InChIKeyQCAOMNVLYYKZFD-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.63
Rot. Bonds4

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

N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine (PubChem CID 56662054) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine
PubChem CID56662054
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine
SMILESCC(NCc1coc(-c2ccccc2Br)n1)C(C)(C)C
InChIInChI=1S/C16H21BrN2O/c1-11(16(2,3)4)18-9-12-10-20-15(19-12)13-7-5-6-8-14(13)17/h5-8,10-11,18H,9H2,1-4H3
InChIKeyQCAOMNVLYYKZFD-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine (CID 56662054) is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine is CC(NCc1coc(-c2ccccc2Br)n1)C(C)(C)C.
What is the InChIKey of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is QCAOMNVLYYKZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-11(16(2,3)4)18-9-12-10-20-15(19-12)13-7-5-6-8-14(13)17/h5-8,10-11,18H,9H2,1-4H3.
What are the key properties of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine?
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 337.26 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 56662054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).