(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone

C15H15F2N3O2 — CID 110645884

IUPAC(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)no1
InChIInChI=1S/C15H15F2N3O2/c1-10-8-14(18-22-10)19-4-6-20(7-5-19)15(21)11-2-3-12(16)13(17)9-11/h2-3,8-9H,4-7H2,1H3
InChIKeyLJDMYHYKTSGSSM-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.22
Rot. Bonds2

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

(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone (PubChem CID 110645884) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
PubChem CID110645884
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)no1
InChIInChI=1S/C15H15F2N3O2/c1-10-8-14(18-22-10)19-4-6-20(7-5-19)15(21)11-2-3-12(16)13(17)9-11/h2-3,8-9H,4-7H2,1H3
InChIKeyLJDMYHYKTSGSSM-UHFFFAOYSA-N
XLogP2.22
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310
(3,5-dimethoxyphenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
CID 110645846
(3,4-difluorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731295
(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345832
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113365
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506426
(3,4-difluorophenyl)-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 46413276
(3,4-difluorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122337430
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone (CID 110645884) is (3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)no1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is LJDMYHYKTSGSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-10-8-14(18-22-10)19-4-6-20(7-5-19)15(21)11-2-3-12(16)13(17)9-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 307.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110645884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).