(4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one

C19H17NO4 — CID 171341343

IUPAC(4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
SMILESCC(C)[C@]1(c2ccc3c(c2)OCO3)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C19H17NO4/c1-12(2)19(14-8-9-15-16(10-14)23-11-22-15)18(21)24-17(20-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3/t19-/m1/s1
InChIKeyDEHWRTZMFNHEEX-LJQANCHMSA-N
MW323.35 g/mol
LogP3.27
Rot. Bonds3

About (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one

(4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one (PubChem CID 171341343) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
PubChem CID171341343
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
SMILESCC(C)[C@]1(c2ccc3c(c2)OCO3)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C19H17NO4/c1-12(2)19(14-8-9-15-16(10-14)23-11-22-15)18(21)24-17(20-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3/t19-/m1/s1
InChIKeyDEHWRTZMFNHEEX-LJQANCHMSA-N
XLogP3.27
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one (CID 171341343) is (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one is CC(C)[C@]1(c2ccc3c(c2)OCO3)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
The InChIKey is DEHWRTZMFNHEEX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12(2)19(14-8-9-15-16(10-14)23-11-22-15)18(21)24-17(20-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one?
(4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one has a molecular weight of 323.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,3-benzodioxol-5-yl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 171341343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).