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

C16H21BrN2O — CID 65309326

IUPACN-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1ccc(Br)cc1-c1cnc(CCNC(C)(C)C)o1
InChIInChI=1S/C16H21BrN2O/c1-11-5-6-12(17)9-13(11)14-10-18-15(20-14)7-8-19-16(2,3)4/h5-6,9-10,19H,7-8H2,1-4H3
InChIKeyKBJGXENQTAYGRH-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.34
Rot. Bonds4

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

N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 65309326) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID65309326
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC NameN-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1ccc(Br)cc1-c1cnc(CCNC(C)(C)C)o1
InChIInChI=1S/C16H21BrN2O/c1-11-5-6-12(17)9-13(11)14-10-18-15(20-14)7-8-19-16(2,3)4/h5-6,9-10,19H,7-8H2,1-4H3
InChIKeyKBJGXENQTAYGRH-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 65309326) is N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is Cc1ccc(Br)cc1-c1cnc(CCNC(C)(C)C)o1.
What is the InChIKey of N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is KBJGXENQTAYGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-11-5-6-12(17)9-13(11)14-10-18-15(20-14)7-8-19-16(2,3)4/h5-6,9-10,19H,7-8H2,1-4H3.
What are the key properties of N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(5-bromo-2-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-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65309326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).