[(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone

C15H18N4O2S — CID 119412076

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
SMILESCc1cc(CSc2ncccc2C(=O)N2CC[C@@H](N)C2)no1
InChIInChI=1S/C15H18N4O2S/c1-10-7-12(18-21-10)9-22-14-13(3-2-5-17-14)15(20)19-6-4-11(16)8-19/h2-3,5,7,11H,4,6,8-9,16H2,1H3/t11-/m1/s1
InChIKeyQOPMMYBDCGANKQ-LLVKDONJSA-N
MW318.40 g/mol
LogP1.84
Rot. Bonds4

About [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone (PubChem CID 119412076) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
PubChem CID119412076
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
SMILESCc1cc(CSc2ncccc2C(=O)N2CC[C@@H](N)C2)no1
InChIInChI=1S/C15H18N4O2S/c1-10-7-12(18-21-10)9-22-14-13(3-2-5-17-14)15(20)19-6-4-11(16)8-19/h2-3,5,7,11H,4,6,8-9,16H2,1H3/t11-/m1/s1
InChIKeyQOPMMYBDCGANKQ-LLVKDONJSA-N
XLogP1.84
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone with MolForge

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Related Compounds

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 9489969
cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 56512652
N-butyl-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 55862307
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 55478811
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 29326752
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 46675600
[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 35349967
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 34563641
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 8633247
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 55391731
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452695
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 8836259

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone (CID 119412076) is [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone is Cc1cc(CSc2ncccc2C(=O)N2CC[C@@H](N)C2)no1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?
The InChIKey is QOPMMYBDCGANKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-7-12(18-21-10)9-22-14-13(3-2-5-17-14)15(20)19-6-4-11(16)8-19/h2-3,5,7,11H,4,6,8-9,16H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone has a molecular weight of 318.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone is sourced from PubChem (CID 119412076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).