N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C12H19N3O4S — CID 38017187

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C12H19N3O4S/c1-8(2)12-14-11(19-15-12)4-3-10(16)13-9-5-6-20(17,18)7-9/h8-9H,3-7H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyMEYKGNYYIPHUBT-SECBINFHSA-N
MW301.37 g/mol
LogP0.43
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 38017187) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID38017187
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C12H19N3O4S/c1-8(2)12-14-11(19-15-12)4-3-10(16)13-9-5-6-20(17,18)7-9/h8-9H,3-7H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyMEYKGNYYIPHUBT-SECBINFHSA-N
XLogP0.43
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(1,1-dioxothiolan-3-yl)butanamide
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N-(1,1-dioxothiolan-3-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 38017187) is N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)c1noc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is MEYKGNYYIPHUBT-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(2)12-14-11(19-15-12)4-3-10(16)13-9-5-6-20(17,18)7-9/h8-9H,3-7H2,1-2H3,(H,13,16)/t9-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 301.37 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 38017187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).