(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine

C15H19N3O3S — CID 124752820

IUPAC(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
SMILESCCN(Cc1cc(-c2cccnc2)no1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O3S/c1-2-18(13-5-7-22(19,20)11-13)10-14-8-15(17-21-14)12-4-3-6-16-9-12/h3-4,6,8-9,13H,2,5,7,10-11H2,1H3/t13-/m1/s1
InChIKeyKLLPMRXITJHFDX-CYBMUJFWSA-N
MW321.40 g/mol
LogP1.75
Rot. Bonds5

About (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine

(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine (PubChem CID 124752820) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
PubChem CID124752820
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
SMILESCCN(Cc1cc(-c2cccnc2)no1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O3S/c1-2-18(13-5-7-22(19,20)11-13)10-14-8-15(17-21-14)12-4-3-6-16-9-12/h3-4,6,8-9,13H,2,5,7,10-11H2,1H3/t13-/m1/s1
InChIKeyKLLPMRXITJHFDX-CYBMUJFWSA-N
XLogP1.75
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine with MolForge

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Related Compounds

(3S)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
CID 124752821
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
2-[[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione
CID 25357185
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
CID 166434881
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 91843217
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657
(4aR,6R,7aR)-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
CID 135103862
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 171908814
5-hexyl-3-pyridin-3-yl-1,2-oxazole
CID 134695050
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
CID 53398877
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 97319612
2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol
CID 146040722

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine?
The IUPAC name of (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine (CID 124752820) is (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine.
What is the SMILES notation for (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine?
The canonical SMILES for (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine is CCN(Cc1cc(-c2cccnc2)no1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine?
The InChIKey is KLLPMRXITJHFDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-18(13-5-7-22(19,20)11-13)10-14-8-15(17-21-14)12-4-3-6-16-9-12/h3-4,6,8-9,13H,2,5,7,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine?
(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine has a molecular weight of 321.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 124752820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).