2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine

C12H15BrN2O — CID 115061603

IUPAC2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESNCCC1=NCC(Cc2ccccc2Br)O1
InChIInChI=1S/C12H15BrN2O/c13-11-4-2-1-3-9(11)7-10-8-15-12(16-10)5-6-14/h1-4,10H,5-8,14H2
InChIKeyWBMZVNXPTXDSSE-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.14
Rot. Bonds4

About 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine

2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (PubChem CID 115061603) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
PubChem CID115061603
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESNCCC1=NCC(Cc2ccccc2Br)O1
InChIInChI=1S/C12H15BrN2O/c13-11-4-2-1-3-9(11)7-10-8-15-12(16-10)5-6-14/h1-4,10H,5-8,14H2
InChIKeyWBMZVNXPTXDSSE-UHFFFAOYSA-N
XLogP2.14
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine
CID 115060872
2-[5-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061610
2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061594
2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 115061719
5-[(2-bromophenyl)methyl]-5H-tetrazole
CID 174412815
2-[(2-bromophenyl)methyl]-1,3-dioxolane
CID 2756954
2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84672465
2-(6-bromo-4H-1,3-benzodioxin-5-yl)ethanamine
CID 84709288
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060054
2-[(2-bromophenyl)methyl]-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470653
2-[(2-bromophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-amine
CID 115066444
4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 70612738

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (CID 115061603) is 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is NCCC1=NCC(Cc2ccccc2Br)O1.
What is the InChIKey of 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The InChIKey is WBMZVNXPTXDSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-11-4-2-1-3-9(11)7-10-8-15-12(16-10)5-6-14/h1-4,10H,5-8,14H2.
What are the key properties of 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine has a molecular weight of 283.17 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 115061603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).