N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

C15H23N3O4S — CID 133120614

IUPACN-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@H]2C2CC2)on1
InChIInChI=1S/C15H23N3O4S/c1-10-7-14(22-17-10)15(19)16-13-9-18(5-6-23(2,20)21)8-12(13)11-3-4-11/h7,11-13H,3-6,8-9H2,1-2H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyUJUSRUBTTOFJPN-QWHCGFSZSA-N
MW341.43 g/mol
LogP0.47
Rot. Bonds6

About N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 133120614) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID133120614
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@H]2C2CC2)on1
InChIInChI=1S/C15H23N3O4S/c1-10-7-14(22-17-10)15(19)16-13-9-18(5-6-23(2,20)21)8-12(13)11-3-4-11/h7,11-13H,3-6,8-9H2,1-2H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyUJUSRUBTTOFJPN-QWHCGFSZSA-N
XLogP0.47
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 133120614) is N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@H]2C2CC2)on1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is UJUSRUBTTOFJPN-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-10-7-14(22-17-10)15(19)16-13-9-18(5-6-23(2,20)21)8-12(13)11-3-4-11/h7,11-13H,3-6,8-9H2,1-2H3,(H,16,19)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 133120614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).