2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole

C20H20FN3O3S2 — CID 53102939

IUPAC2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole
SMILESO=S(=O)(c1ccc(-c2cnc(C3CC3)o2)s1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20FN3O3S2/c21-15-3-1-2-4-16(15)23-9-11-24(12-10-23)29(25,26)19-8-7-18(28-19)17-13-22-20(27-17)14-5-6-14/h1-4,7-8,13-14H,5-6,9-12H2
InChIKeyYDKMPBHOWABMSI-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.93
Rot. Bonds5

About 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole

2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole (PubChem CID 53102939) has the molecular formula C20H20FN3O3S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole
PubChem CID53102939
Molecular FormulaC20H20FN3O3S2
Molecular Weight433.53 g/mol
Exact Mass433.09
IUPAC Name2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole
SMILESO=S(=O)(c1ccc(-c2cnc(C3CC3)o2)s1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20FN3O3S2/c21-15-3-1-2-4-16(15)23-9-11-24(12-10-23)29(25,26)19-8-7-18(28-19)17-13-22-20(27-17)14-5-6-14/h1-4,7-8,13-14H,5-6,9-12H2
InChIKeyYDKMPBHOWABMSI-UHFFFAOYSA-N
XLogP3.93
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole (CID 53102939) is 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole is O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)s1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole?
The InChIKey is YDKMPBHOWABMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S2/c21-15-3-1-2-4-16(15)23-9-11-24(12-10-23)29(25,26)19-8-7-18(28-19)17-13-22-20(27-17)14-5-6-14/h1-4,7-8,13-14H,5-6,9-12H2.
What are the key properties of 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole?
2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole has a molecular weight of 433.53 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3-oxazole is sourced from PubChem (CID 53102939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).