[(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone

C19H18FN3O4S2 — CID 59007126

IUPAC[(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2cc(F)on2)s1
InChIInChI=1S/C19H18FN3O4S2/c1-13-12-22(19(24)14-5-3-2-4-6-14)9-10-23(13)29(25,26)18-8-7-16(28-18)15-11-17(20)27-21-15/h2-8,11,13H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyJPWVANTVMOOSDB-CYBMUJFWSA-N
MW435.50 g/mol
LogP3.08
Rot. Bonds4

About [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone

[(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 59007126) has the molecular formula C19H18FN3O4S2 and a molecular weight of 435.50 g/mol. Its IUPAC name is [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
PubChem CID59007126
Molecular FormulaC19H18FN3O4S2
Molecular Weight435.50 g/mol
Exact Mass435.07
IUPAC Name[(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2cc(F)on2)s1
InChIInChI=1S/C19H18FN3O4S2/c1-13-12-22(19(24)14-5-3-2-4-6-14)9-10-23(13)29(25,26)18-8-7-16(28-18)15-11-17(20)27-21-15/h2-8,11,13H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyJPWVANTVMOOSDB-CYBMUJFWSA-N
XLogP3.08
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone (CID 59007126) is [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone is C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2cc(F)on2)s1.
What is the InChIKey of [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is JPWVANTVMOOSDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18FN3O4S2/c1-13-12-22(19(24)14-5-3-2-4-6-14)9-10-23(13)29(25,26)18-8-7-16(28-18)15-11-17(20)27-21-15/h2-8,11,13H,9-10,12H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
[(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 435.50 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 59007126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).