(5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole

C16H13BrClNO — CID 135035335

IUPAC(5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole
SMILESClc1cccc([C@]2(CBr)CN=C(c3ccccc3)O2)c1
InChIInChI=1S/C16H13BrClNO/c17-10-16(13-7-4-8-14(18)9-13)11-19-15(20-16)12-5-2-1-3-6-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyKKWOKKKVVYQIGB-INIZCTEOSA-N
MW350.64 g/mol
LogP4.41
Rot. Bonds3

About (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole

(5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole (PubChem CID 135035335) has the molecular formula C16H13BrClNO and a molecular weight of 350.64 g/mol. Its IUPAC name is (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole
PubChem CID135035335
Molecular FormulaC16H13BrClNO
Molecular Weight350.64 g/mol
Exact Mass348.99
IUPAC Name(5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole
SMILESClc1cccc([C@]2(CBr)CN=C(c3ccccc3)O2)c1
InChIInChI=1S/C16H13BrClNO/c17-10-16(13-7-4-8-14(18)9-13)11-19-15(20-16)12-5-2-1-3-6-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyKKWOKKKVVYQIGB-INIZCTEOSA-N
XLogP4.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole
CID 135035333
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
(5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
CID 164668255
2-(3-chlorophenyl)-5,5-diphenyl-1,4-dihydroimidazole
CID 139909403
(4R)-4-(bromomethyl)-4-methyl-2-phenyl-3,1-benzoxazine
CID 102454729
2-benzyl-2-[[2-(3-chlorophenyl)oxiran-2-yl]methyl]propanedinitrile
CID 86187317
2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 576029
5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine
CID 79510115
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
CID 105471866
1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 167713457
6-chloro-2-phenyl-4H-3,1-benzoxazine
CID 102290950

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole?
The IUPAC name of (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole (CID 135035335) is (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole?
The canonical SMILES for (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole is Clc1cccc([C@]2(CBr)CN=C(c3ccccc3)O2)c1.
What is the InChIKey of (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole?
The InChIKey is KKWOKKKVVYQIGB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13BrClNO/c17-10-16(13-7-4-8-14(18)9-13)11-19-15(20-16)12-5-2-1-3-6-12/h1-9H,10-11H2/t16-/m0/s1.
What are the key properties of (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole?
(5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole has a molecular weight of 350.64 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 135035335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).