[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

C21H23N3O5S — CID 20930695

IUPAC[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23N3O5S/c1-14-6-7-17(20-15(2)22-29-16(20)3)13-19(14)30(26,27)24-10-8-23(9-11-24)21(25)18-5-4-12-28-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyDQEUSVQWRWJUNY-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.01
Rot. Bonds4

About [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 20930695) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID20930695
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23N3O5S/c1-14-6-7-17(20-15(2)22-29-16(20)3)13-19(14)30(26,27)24-10-8-23(9-11-24)21(25)18-5-4-12-28-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyDQEUSVQWRWJUNY-UHFFFAOYSA-N
XLogP3.01
TPSA96.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
CID 118121112
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 3238897
(3aS,7aS)-2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-4-methylphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92867170
furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone
CID 46397260
N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133053
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110295756
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32626209
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938393
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
CID 171977750
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38408302

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 20930695) is [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is DQEUSVQWRWJUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14-6-7-17(20-15(2)22-29-16(20)3)13-19(14)30(26,27)24-10-8-23(9-11-24)21(25)18-5-4-12-28-18/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 429.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 20930695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).