[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone

C19H22FN3O4S — CID 52543843

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O4S/c1-12-18(13(2)27-21-12)28(25,26)23-9-7-22(8-10-23)19(24)16-11-15(16)14-5-3-4-6-17(14)20/h3-6,15-16H,7-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyWRGAJIWVICYGTE-HOTGVXAUSA-N
MW407.47 g/mol
LogP2.07
Rot. Bonds4

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone (PubChem CID 52543843) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
PubChem CID52543843
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O4S/c1-12-18(13(2)27-21-12)28(25,26)23-9-7-22(8-10-23)19(24)16-11-15(16)14-5-3-4-6-17(14)20/h3-6,15-16H,7-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyWRGAJIWVICYGTE-HOTGVXAUSA-N
XLogP2.07
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975076
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 9150948
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9151427
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9151433
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108569871
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone
CID 55474132
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 27364501
(2,4-difluorophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9150819
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanone
CID 22109863

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone (CID 52543843) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2F)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone?
The InChIKey is WRGAJIWVICYGTE-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-12-18(13(2)27-21-12)28(25,26)23-9-7-22(8-10-23)19(24)16-11-15(16)14-5-3-4-6-17(14)20/h3-6,15-16H,7-11H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone has a molecular weight of 407.47 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 52543843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).