(4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one

C14H17NO4 — CID 71045704

IUPAC(4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1OC(=O)N[C@@H]1C1OC(c2ccccc2)O1
InChIInChI=1S/C14H17NO4/c1-8(2)11-10(15-14(16)17-11)13-18-12(19-13)9-6-4-3-5-7-9/h3-8,10-13H,1-2H3,(H,15,16)/t10-,11-,12?,13?/m0/s1
InChIKeyFVQWRHXKTWUPNW-ZSVAQUKISA-N
MW263.29 g/mol
LogP2.19
Rot. Bonds3

About (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one

(4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 71045704) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID71045704
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1OC(=O)N[C@@H]1C1OC(c2ccccc2)O1
InChIInChI=1S/C14H17NO4/c1-8(2)11-10(15-14(16)17-11)13-18-12(19-13)9-6-4-3-5-7-9/h3-8,10-13H,1-2H3,(H,15,16)/t10-,11-,12?,13?/m0/s1
InChIKeyFVQWRHXKTWUPNW-ZSVAQUKISA-N
XLogP2.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one (CID 71045704) is (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1OC(=O)N[C@@H]1C1OC(c2ccccc2)O1.
What is the InChIKey of (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is FVQWRHXKTWUPNW-ZSVAQUKISA-N. The full InChI is InChI=1S/C14H17NO4/c1-8(2)11-10(15-14(16)17-11)13-18-12(19-13)9-6-4-3-5-7-9/h3-8,10-13H,1-2H3,(H,15,16)/t10-,11-,12?,13?/m0/s1.
What are the key properties of (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one?
(4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 263.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71045704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).