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

C16H21BrN2O2 — CID 65182601

IUPACN-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc(Br)c(-c2cnc(CCNC(C)(C)C)o2)c1
InChIInChI=1S/C16H21BrN2O2/c1-16(2,3)19-8-7-15-18-10-14(21-15)12-9-11(20-4)5-6-13(12)17/h5-6,9-10,19H,7-8H2,1-4H3
InChIKeyWDJYPTKJIDSYET-UHFFFAOYSA-N
MW353.26 g/mol
LogP4.04
Rot. Bonds5

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

N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 65182601) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID65182601
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC NameN-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc(Br)c(-c2cnc(CCNC(C)(C)C)o2)c1
InChIInChI=1S/C16H21BrN2O2/c1-16(2,3)19-8-7-15-18-10-14(21-15)12-9-11(20-4)5-6-13(12)17/h5-6,9-10,19H,7-8H2,1-4H3
InChIKeyWDJYPTKJIDSYET-UHFFFAOYSA-N
XLogP4.04
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 65182601) is N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is COc1ccc(Br)c(-c2cnc(CCNC(C)(C)C)o2)c1.
What is the InChIKey of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is WDJYPTKJIDSYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-16(2,3)19-8-7-15-18-10-14(21-15)12-9-11(20-4)5-6-13(12)17/h5-6,9-10,19H,7-8H2,1-4H3.
What are the key properties of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 353.26 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65182601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).