[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone

C20H18FN3O3 — CID 110399497

IUPAC[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)ccc2o1
InChIInChI=1S/C20H18FN3O3/c1-13-22-17-12-14(6-7-18(17)27-13)19(25)23-8-10-24(11-9-23)20(26)15-4-2-3-5-16(15)21/h2-7,12H,8-11H2,1H3
InChIKeyHDCOFLPHSKRDFB-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.87
Rot. Bonds2

About [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone

[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone (PubChem CID 110399497) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
PubChem CID110399497
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)ccc2o1
InChIInChI=1S/C20H18FN3O3/c1-13-22-17-12-14(6-7-18(17)27-13)19(25)23-8-10-24(11-9-23)20(26)15-4-2-3-5-16(15)21/h2-7,12H,8-11H2,1H3
InChIKeyHDCOFLPHSKRDFB-UHFFFAOYSA-N
XLogP2.87
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387959
4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazine-1-carbaldehyde
CID 110387912
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387944
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110399523
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
2-ethyl-1-[4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110399491
(2-methyl-1,3-benzoxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809951
(2-methyl-1,3-benzoxazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110399539
methyl 4-[4-(2-methyl-1,3-benzoxazole-5-carbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110807269
3-[4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814717
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
ethyl 1-(2-methyl-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 110766273

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone (CID 110399497) is [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The canonical SMILES for [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone is Cc1nc2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)ccc2o1.
What is the InChIKey of [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The InChIKey is HDCOFLPHSKRDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-22-17-12-14(6-7-18(17)27-13)19(25)23-8-10-24(11-9-23)20(26)15-4-2-3-5-16(15)21/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone?
[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone has a molecular weight of 367.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone is sourced from PubChem (CID 110399497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).