(5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one

C19H17BrFNO2 — CID 122400813

IUPAC(5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@@]1(Cc2cccc(Br)c2)OC(c2cccc(F)c2)=NC1=O
InChIInChI=1S/C19H17BrFNO2/c1-12(2)19(11-13-5-3-7-15(20)9-13)18(23)22-17(24-19)14-6-4-8-16(21)10-14/h3-10,12H,11H2,1-2H3/t19-/m1/s1
InChIKeyGJNLETKMJHXHJP-LJQANCHMSA-N
MW390.25 g/mol
LogP4.53
Rot. Bonds4

About (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one

(5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one (PubChem CID 122400813) has the molecular formula C19H17BrFNO2 and a molecular weight of 390.25 g/mol. Its IUPAC name is (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one
PubChem CID122400813
Molecular FormulaC19H17BrFNO2
Molecular Weight390.25 g/mol
Exact Mass389.04
IUPAC Name(5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@@]1(Cc2cccc(Br)c2)OC(c2cccc(F)c2)=NC1=O
InChIInChI=1S/C19H17BrFNO2/c1-12(2)19(11-13-5-3-7-15(20)9-13)18(23)22-17(24-19)14-6-4-8-16(21)10-14/h3-10,12H,11H2,1-2H3/t19-/m1/s1
InChIKeyGJNLETKMJHXHJP-LJQANCHMSA-N
XLogP4.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one (CID 122400813) is (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one is CC(C)[C@@]1(Cc2cccc(Br)c2)OC(c2cccc(F)c2)=NC1=O.
What is the InChIKey of (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one?
The InChIKey is GJNLETKMJHXHJP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17BrFNO2/c1-12(2)19(11-13-5-3-7-15(20)9-13)18(23)22-17(24-19)14-6-4-8-16(21)10-14/h3-10,12H,11H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one?
(5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one has a molecular weight of 390.25 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-5-propan-2-yl-1,3-oxazol-4-one is sourced from PubChem (CID 122400813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).