N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine

C10H17N3O3 — CID 128729810

IUPACN-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCO[C@@H]1COC[C@@H]1Nc1nc(C(C)C)no1
InChIInChI=1S/C10H17N3O3/c1-6(2)9-12-10(16-13-9)11-7-4-15-5-8(7)14-3/h6-8H,4-5H2,1-3H3,(H,11,12,13)/t7-,8+/m0/s1
InChIKeyQVYJSIIVXIYBSH-JGVFFNPUSA-N
MW227.26 g/mol
LogP1.02
Rot. Bonds4

About N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine

N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 128729810) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID128729810
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCO[C@@H]1COC[C@@H]1Nc1nc(C(C)C)no1
InChIInChI=1S/C10H17N3O3/c1-6(2)9-12-10(16-13-9)11-7-4-15-5-8(7)14-3/h6-8H,4-5H2,1-3H3,(H,11,12,13)/t7-,8+/m0/s1
InChIKeyQVYJSIIVXIYBSH-JGVFFNPUSA-N
XLogP1.02
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 128729810) is N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine is CO[C@@H]1COC[C@@H]1Nc1nc(C(C)C)no1.
What is the InChIKey of N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is QVYJSIIVXIYBSH-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(2)9-12-10(16-13-9)11-7-4-15-5-8(7)14-3/h6-8H,4-5H2,1-3H3,(H,11,12,13)/t7-,8+/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 227.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 128729810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).