(4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine

C9H9BrN2O — CID 59323890

IUPAC(4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccccc2Br)CO1
InChIInChI=1S/C9H9BrN2O/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)/t8-/m1/s1
InChIKeyBVSAICXBOGZIFV-MRVPVSSYSA-N
MW241.09 g/mol
LogP1.84
Rot. Bonds1

About (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323890) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323890
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name(4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccccc2Br)CO1
InChIInChI=1S/C9H9BrN2O/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)/t8-/m1/s1
InChIKeyBVSAICXBOGZIFV-MRVPVSSYSA-N
XLogP1.84
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323890) is (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2ccccc2Br)CO1.
What is the InChIKey of (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BVSAICXBOGZIFV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)/t8-/m1/s1.
What are the key properties of (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 241.09 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).