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

C20H20FN3O3 — CID 110390420

IUPAC5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN3O3/c21-15-3-5-16(6-4-15)23-9-11-24(12-10-23)19(25)8-2-14-1-7-18-17(13-14)22-20(26)27-18/h1,3-7,13H,2,8-12H2,(H,22,26)
InChIKeyXNYNINDOCGCEBV-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.54
Rot. Bonds4

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

5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one (PubChem CID 110390420) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
PubChem CID110390420
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN3O3/c21-15-3-5-16(6-4-15)23-9-11-24(12-10-23)19(25)8-2-14-1-7-18-17(13-14)22-20(26)27-18/h1,3-7,13H,2,8-12H2,(H,22,26)
InChIKeyXNYNINDOCGCEBV-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-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390433
5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662236
5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250
6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one
CID 110390110
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
ethyl 5-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
CID 118710572
5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one
CID 110773942
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110802394
5-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662246
3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 110786774
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361243
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 87046447

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one (CID 110390420) is 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one is O=C(CCc1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is XNYNINDOCGCEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-3-5-16(6-4-15)23-9-11-24(12-10-23)19(25)8-2-14-1-7-18-17(13-14)22-20(26)27-18/h1,3-7,13H,2,8-12H2,(H,22,26).
What are the key properties of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one?
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-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-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110390420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).