(4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H13BrN2O2 — CID 44602508

IUPAC(4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOc2cccc(Br)c2)CO1
InChIInChI=1S/C11H13BrN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1
InChIKeyUNMWRBOEACAPFU-VIFPVBQESA-N
MW285.14 g/mol
LogP1.93
Rot. Bonds4

About (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 44602508) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID44602508
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOc2cccc(Br)c2)CO1
InChIInChI=1S/C11H13BrN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1
InChIKeyUNMWRBOEACAPFU-VIFPVBQESA-N
XLogP1.93
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[2-(3-methylsulfonylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173149
4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67180774
3-[2-(3-bromophenoxy)ethyl]oxan-4-ol
CID 106471299
3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine
CID 84712644
1-[2-(3-bromophenoxy)ethyl]-2-chlorocycloheptane
CID 63459314
2-[2-(3-bromophenoxy)ethyl]indene-1,3-dione
CID 71217262
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
6-[2-(3-bromophenoxy)ethylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17413966
4-[2-(3-bromophenoxy)ethoxy]oxane
CID 54970855
2-(2,6-difluorophenyl)-4-(2-naphthalen-2-yloxyethyl)-4,5-dihydro-1,3-oxazole
CID 19041182

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 44602508) is (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCOc2cccc(Br)c2)CO1.
What is the InChIKey of (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is UNMWRBOEACAPFU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1.
What are the key properties of (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 285.14 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 44602508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).