1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one

C14H18N6O2 — CID 134354821

IUPAC1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one
SMILESCC(C)[C@@H](c1nc(-c2cnccn2)no1)N1CCCNC1=O
InChIInChI=1S/C14H18N6O2/c1-9(2)11(20-7-3-4-17-14(20)21)13-18-12(19-22-13)10-8-15-5-6-16-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,17,21)/t11-/m0/s1
InChIKeyPTUVKJVIEJOWAF-NSHDSACASA-N
MW302.34 g/mol
LogP1.64
Rot. Bonds4

About 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one

1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one (PubChem CID 134354821) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one
PubChem CID134354821
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one
SMILESCC(C)[C@@H](c1nc(-c2cnccn2)no1)N1CCCNC1=O
InChIInChI=1S/C14H18N6O2/c1-9(2)11(20-7-3-4-17-14(20)21)13-18-12(19-22-13)10-8-15-5-6-16-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,17,21)/t11-/m0/s1
InChIKeyPTUVKJVIEJOWAF-NSHDSACASA-N
XLogP1.64
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one (CID 134354821) is 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one is CC(C)[C@@H](c1nc(-c2cnccn2)no1)N1CCCNC1=O.
What is the InChIKey of 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one?
The InChIKey is PTUVKJVIEJOWAF-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9(2)11(20-7-3-4-17-14(20)21)13-18-12(19-22-13)10-8-15-5-6-16-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,17,21)/t11-/m0/s1.
What are the key properties of 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one?
1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one has a molecular weight of 302.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-diazinan-2-one is sourced from PubChem (CID 134354821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).