(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

C13H18N6O2 — CID 95780288

IUPAC(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n[nH]1
InChIInChI=1S/C13H18N6O2/c1-8-14-12(17-15-8)10-6-19(4-5-20-10)7-11-16-18-13(21-11)9-2-3-9/h9-10H,2-7H2,1H3,(H,14,15,17)/t10-/m0/s1
InChIKeyGOOYQABMQUKYPO-JTQLQIEISA-N
MW290.33 g/mol
LogP0.95
Rot. Bonds4

About (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 95780288) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID95780288
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n[nH]1
InChIInChI=1S/C13H18N6O2/c1-8-14-12(17-15-8)10-6-19(4-5-20-10)7-11-16-18-13(21-11)9-2-3-9/h9-10H,2-7H2,1H3,(H,14,15,17)/t10-/m0/s1
InChIKeyGOOYQABMQUKYPO-JTQLQIEISA-N
XLogP0.95
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (CID 95780288) is (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is Cc1nc([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n[nH]1.
What is the InChIKey of (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is GOOYQABMQUKYPO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N6O2/c1-8-14-12(17-15-8)10-6-19(4-5-20-10)7-11-16-18-13(21-11)9-2-3-9/h9-10H,2-7H2,1H3,(H,14,15,17)/t10-/m0/s1.
What are the key properties of (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 290.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 95780288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).