4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

C9H8BrClN2O — CID 66157100

IUPAC4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cc(Cl)ccc2Br)CO1
InChIInChI=1S/C9H8BrClN2O/c10-7-2-1-5(11)3-6(7)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)
InChIKeyUXXFEYVYCGJHDR-UHFFFAOYSA-N
MW275.53 g/mol
LogP2.49
Rot. Bonds1

About 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 66157100) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID66157100
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cc(Cl)ccc2Br)CO1
InChIInChI=1S/C9H8BrClN2O/c10-7-2-1-5(11)3-6(7)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)
InChIKeyUXXFEYVYCGJHDR-UHFFFAOYSA-N
XLogP2.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323787
4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323706
(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
CID 146018955
(4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323764
4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 147644765
(4R)-4-(2,4-dichlorophenyl)-2-[6-[(4R)-4-(2,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 165437847
5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 79520590
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946067
5-(2-bromo-5-chlorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79496464
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
(4S)-4-(2-bromo-5-chlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187985

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 66157100) is 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(c2cc(Cl)ccc2Br)CO1.
What is the InChIKey of 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is UXXFEYVYCGJHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c10-7-2-1-5(11)3-6(7)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13).
What are the key properties of 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 275.53 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 66157100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).