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

C21H20ClN3O4S — CID 1244728

IUPAC1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H20ClN3O4S/c22-17-9-5-4-8-16(17)19-24-20(30(27,28)15-6-2-1-3-7-15)21(29-19)25-12-10-14(11-13-25)18(23)26/h1-9,14H,10-13H2,(H2,23,26)
InChIKeyDMTXXPPHOXRRFD-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.53
Rot. Bonds5

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

1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 1244728) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID1244728
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H20ClN3O4S/c22-17-9-5-4-8-16(17)19-24-20(30(27,28)15-6-2-1-3-7-15)21(29-19)25-12-10-14(11-13-25)18(23)26/h1-9,14H,10-13H2,(H2,23,26)
InChIKeyDMTXXPPHOXRRFD-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

1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18825733
1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 4825656
1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 3447007
5-(azepan-1-yl)-2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazole
CID 2139826
4-(benzenesulfonyl)-5-(4-benzhydrylpiperazin-1-yl)-2-(2-chlorophenyl)-1,3-oxazole
CID 18826518
5-(4-benzylpiperidin-1-yl)-2-(2-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 2356504
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18890240
4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 987252
1-[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18826419
1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18826265
4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
CID 18824785
4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18824802

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 1244728) is 1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is DMTXXPPHOXRRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c22-17-9-5-4-8-16(17)19-24-20(30(27,28)15-6-2-1-3-7-15)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-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-(benzenesulfonyl)-2-(2-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-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 1244728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).