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

C20H20FN3O3 — CID 3241380

IUPAC3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESO=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20FN3O3/c21-15-5-1-2-6-16(15)22-11-13-23(14-12-22)19(25)9-10-24-17-7-3-4-8-18(17)27-20(24)26/h1-8H,9-14H2
InChIKeyHWMKBKFYKPSPGM-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.47
Rot. Bonds4

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

3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one (PubChem CID 3241380) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
PubChem CID3241380
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESO=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20FN3O3/c21-15-5-1-2-6-16(15)22-11-13-23(14-12-22)19(25)9-10-24-17-7-3-4-8-18(17)27-20(24)26/h1-8H,9-14H2
InChIKeyHWMKBKFYKPSPGM-UHFFFAOYSA-N
XLogP2.47
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one (CID 3241380) is 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one is O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
The InChIKey is HWMKBKFYKPSPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-5-1-2-6-16(15)22-11-13-23(14-12-22)19(25)9-10-24-17-7-3-4-8-18(17)27-20(24)26/h1-8H,9-14H2.
What are the key properties of 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one has a molecular weight of 369.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 3241380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).