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

C15H21N5O2 — CID 95285129

IUPAC(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)c1
InChIInChI=1S/C15H21N5O2/c1-11-6-16-20(7-11)9-13-8-19(4-5-21-13)10-14-17-15(22-18-14)12-2-3-12/h6-7,12-13H,2-5,8-10H2,1H3/t13-/m0/s1
InChIKeyPNMZJUYNNKVCEJ-ZDUSSCGKSA-N
MW303.37 g/mol
LogP1.35
Rot. Bonds5

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

(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (PubChem CID 95285129) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
PubChem CID95285129
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)c1
InChIInChI=1S/C15H21N5O2/c1-11-6-16-20(7-11)9-13-8-19(4-5-21-13)10-14-17-15(22-18-14)12-2-3-12/h6-7,12-13H,2-5,8-10H2,1H3/t13-/m0/s1
InChIKeyPNMZJUYNNKVCEJ-ZDUSSCGKSA-N
XLogP1.35
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of (2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (CID 95285129) is (2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for (2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is Cc1cnn(C[C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)c1.
What is the InChIKey of (2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The InChIKey is PNMZJUYNNKVCEJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-6-16-20(7-11)9-13-8-19(4-5-21-13)10-14-17-15(22-18-14)12-2-3-12/h6-7,12-13H,2-5,8-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine has a molecular weight of 303.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 95285129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).