(4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H17N3O3 — CID 72924567

IUPAC(4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H17N3O3/c1-10(2)12-9-20-15(19)18(12)8-13-16-17-14(21-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyPGMSTWCXFDJORL-GFCCVEGCSA-N
MW287.32 g/mol
LogP2.71
Rot. Bonds4

About (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 72924567) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID72924567
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H17N3O3/c1-10(2)12-9-20-15(19)18(12)8-13-16-17-14(21-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyPGMSTWCXFDJORL-GFCCVEGCSA-N
XLogP2.71
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 72924567) is (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PGMSTWCXFDJORL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(2)12-9-20-15(19)18(12)8-13-16-17-14(21-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 287.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72924567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).