N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide

C22H23N3O4S — CID 41417441

IUPACN-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)C1
InChIInChI=1S/C22H23N3O4S/c1-16-6-5-13-25(15-16)30(27,28)19-11-9-18(10-12-19)23-22(26)20-14-21(29-24-20)17-7-3-2-4-8-17/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyOXNPJULDMUNLFI-MRXNPFEDSA-N
MW425.51 g/mol
LogP4.01
Rot. Bonds5

About N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 41417441) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID41417441
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)C1
InChIInChI=1S/C22H23N3O4S/c1-16-6-5-13-25(15-16)30(27,28)19-11-9-18(10-12-19)23-22(26)20-14-21(29-24-20)17-7-3-2-4-8-17/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyOXNPJULDMUNLFI-MRXNPFEDSA-N
XLogP4.01
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylphenyl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043688
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide
CID 42998438
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 42279430
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2449783
methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
CID 43049761
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55332921
3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2139142

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 41417441) is N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)C1.
What is the InChIKey of N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is OXNPJULDMUNLFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16-6-5-13-25(15-16)30(27,28)19-11-9-18(10-12-19)23-22(26)20-14-21(29-24-20)17-7-3-2-4-8-17/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,23,26)/t16-/m1/s1.
What are the key properties of N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 41417441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).