5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C20H20FN3O3 — CID 110662236

IUPAC5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(CCc1ccccc1F)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C20H20FN3O3/c21-16-4-2-1-3-14(16)5-8-19(25)24-11-9-23(10-12-24)15-6-7-18-17(13-15)22-20(26)27-18/h1-4,6-7,13H,5,8-12H2,(H,22,26)
InChIKeyKZXPDPOHFMWNDL-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.54
Rot. Bonds4

About 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 110662236) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID110662236
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(CCc1ccccc1F)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C20H20FN3O3/c21-16-4-2-1-3-14(16)5-8-19(25)24-11-9-23(10-12-24)15-6-7-18-17(13-15)22-20(26)27-18/h1-4,6-7,13H,5,8-12H2,(H,22,26)
InChIKeyKZXPDPOHFMWNDL-UHFFFAOYSA-N
XLogP2.54
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390420
5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390433
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361243
5-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662246
5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662247
5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
CID 23074043
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one
CID 110773942
3-(2-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666015
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 110662236) is 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one is O=C(CCc1ccccc1F)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is KZXPDPOHFMWNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-16-4-2-1-3-14(16)5-8-19(25)24-11-9-23(10-12-24)15-6-7-18-17(13-15)22-20(26)27-18/h1-4,6-7,13H,5,8-12H2,(H,22,26).
What are the key properties of 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 369.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110662236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).