1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

C19H25N3O4S — CID 74170990

IUPAC1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C19H25N3O4S/c1-13-12-17(21-26-13)20-18(23)16-6-5-11-22(16)27(24,25)15-9-7-14(8-10-15)19(2,3)4/h7-10,12,16H,5-6,11H2,1-4H3,(H,20,21,23)
InChIKeyQFQIKGBIAJHFLK-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 74170990) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID74170990
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C19H25N3O4S/c1-13-12-17(21-26-13)20-18(23)16-6-5-11-22(16)27(24,25)15-9-7-14(8-10-15)19(2,3)4/h7-10,12,16H,5-6,11H2,1-4H3,(H,20,21,23)
InChIKeyQFQIKGBIAJHFLK-UHFFFAOYSA-N
XLogP3.07
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 42890844
(2S)-1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 25381432
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 27234775
tert-butyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 110624716
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 46651644

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (CID 74170990) is 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is QFQIKGBIAJHFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-12-17(21-26-13)20-18(23)16-6-5-11-22(16)27(24,25)15-9-7-14(8-10-15)19(2,3)4/h7-10,12,16H,5-6,11H2,1-4H3,(H,20,21,23).
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 74170990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).