[4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C18H16FN3O2S — CID 3239954

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16FN3O2S/c19-13-3-5-14(6-4-13)21-7-9-22(10-8-21)18(23)15-12-16(24-20-15)17-2-1-11-25-17/h1-6,11-12H,7-10H2
InChIKeyPJPMLGHIPLKCKL-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.50
Rot. Bonds3

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

[4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 3239954) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID3239954
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H16FN3O2S/c19-13-3-5-14(6-4-13)21-7-9-22(10-8-21)18(23)15-12-16(24-20-15)17-2-1-11-25-17/h1-6,11-12H,7-10H2
InChIKeyPJPMLGHIPLKCKL-UHFFFAOYSA-N
XLogP3.50
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
N-cyclohexyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 15998429
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
4-{[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 3242386
N3-(4-chlorophenyl)-5-(2-thienyl)isoxazole-3-carboxamide
CID 2745203
N-(3-hydroxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253072
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-Isopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 2745205
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191
N-cyclopentyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3242425
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 3239954) is [4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is PJPMLGHIPLKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-13-3-5-14(6-4-13)21-7-9-22(10-8-21)18(23)15-12-16(24-20-15)17-2-1-11-25-17/h1-6,11-12H,7-10H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 3239954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).