1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

C21H20ClN3O4S — CID 3447007

IUPAC1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H20ClN3O4S/c22-16-8-6-15(7-9-16)19-24-20(30(27,28)17-4-2-1-3-5-17)21(29-19)25-12-10-14(11-13-25)18(23)26/h1-9,14H,10-13H2,(H2,23,26)
InChIKeyBXUAKDLJJGNVCP-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.53
Rot. Bonds5

About 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 3447007) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID3447007
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H20ClN3O4S/c22-16-8-6-15(7-9-16)19-24-20(30(27,28)17-4-2-1-3-5-17)21(29-19)25-12-10-14(11-13-25)18(23)26/h1-9,14H,10-13H2,(H2,23,26)
InChIKeyBXUAKDLJJGNVCP-UHFFFAOYSA-N
XLogP3.53
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(Benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine
CID 1110868
2-(2-Chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 2356499
2-(2-methylphenyl)-N-[3-(morpholin-4-yl)propyl]-4-(phenylsulfonyl)-1,3-oxazol-5-amine
CID 4825643
1-[4-(4-Chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 5267445
4-[4-(Toluene-4-sulfonyl)-2-p-tolyl-oxazol-5-yl]-morpholine
CID 1070710
N-Benzyl-4-(4-chlorobenzenesulfonyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 4202769
4-(4-Chlorophenyl)sulfonyl-2-(4-fluorophenyl)-5-methylsulfonyl-1,3-oxazole
CID 16013373
N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 1244597
1-[2-Phenyl-4-(phenylsulfonyl)-1,3-oxazol-5-yl]piperidine
CID 1180559
4-[(4-methylphenyl)sulfonyl]-N-[2-(4-morpholinyl)ethyl]-2-phenyl-1,3-oxazol-5-amine
CID 1244626
1-[4-(Benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 1244666
2-(2-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-(phenylsulfonyl)-1,3-oxazol-5-amine
CID 1244724

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 3447007) is 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is BXUAKDLJJGNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c22-16-8-6-15(7-9-16)19-24-20(30(27,28)17-4-2-1-3-5-17)21(29-19)25-12-10-14(11-13-25)18(23)26/h1-9,14H,10-13H2,(H2,23,26).
What are the key properties of 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 3447007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).