6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C18H16FN3O3 — CID 110361332

IUPAC6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc(F)c1)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C18H16FN3O3/c19-13-3-1-2-12(10-13)17(23)22-8-6-21(7-9-22)14-4-5-15-16(11-14)25-18(24)20-15/h1-5,10-11H,6-9H2,(H,20,24)
InChIKeyRGDJAVHGYCNAFS-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.22
Rot. Bonds2

About 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 110361332) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID110361332
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc(F)c1)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C18H16FN3O3/c19-13-3-1-2-12(10-13)17(23)22-8-6-21(7-9-22)14-4-5-15-16(11-14)25-18(24)20-15/h1-5,10-11H,6-9H2,(H,20,24)
InChIKeyRGDJAVHGYCNAFS-UHFFFAOYSA-N
XLogP2.22
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110802394
3-[4-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)piperazine-1-carbonyl]benzonitrile
CID 110400135
6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400122
6-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400153
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138
N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
CID 110361358
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
6-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110808610

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 110361332) is 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is O=C(c1cccc(F)c1)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1.
What is the InChIKey of 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is RGDJAVHGYCNAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-13-3-1-2-12(10-13)17(23)22-8-6-21(7-9-22)14-4-5-15-16(11-14)25-18(24)20-15/h1-5,10-11H,6-9H2,(H,20,24).
What are the key properties of 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 341.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110361332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).