5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C17H25N3O4S — CID 130395229

IUPAC5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C2CCS(=O)(=O)CC2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H25N3O4S/c1-11-9-20(13-4-6-25(22,23)7-5-13)10-15(11)18-17(21)14-8-16(24-19-14)12-2-3-12/h8,11-13,15H,2-7,9-10H2,1H3,(H,18,21)/t11-,15-/m1/s1
InChIKeyUPIDYGUTBZPLGT-IAQYHMDHSA-N
MW367.47 g/mol
LogP1.18
Rot. Bonds4

About 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395229) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395229
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C2CCS(=O)(=O)CC2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H25N3O4S/c1-11-9-20(13-4-6-25(22,23)7-5-13)10-15(11)18-17(21)14-8-16(24-19-14)12-2-3-12/h8,11-13,15H,2-7,9-10H2,1H3,(H,18,21)/t11-,15-/m1/s1
InChIKeyUPIDYGUTBZPLGT-IAQYHMDHSA-N
XLogP1.18
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 146458087
N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395230
N-(1-cyclopentyl-4-methylpyrrolidin-3-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386267
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386694
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808738
5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395206
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395340
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid
CID 118947444
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 160897490
5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395322
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386667

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395229) is 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@@H]1CN(C2CCS(=O)(=O)CC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is UPIDYGUTBZPLGT-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-11-9-20(13-4-6-25(22,23)7-5-13)10-15(11)18-17(21)14-8-16(24-19-14)12-2-3-12/h8,11-13,15H,2-7,9-10H2,1H3,(H,18,21)/t11-,15-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).