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

C15H23N5O2 — CID 95274096

IUPAC(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
SMILESCc1cc(C)n(C[C@@H]2CN([C@@H](C)c3nnc(C)o3)CCO2)n1
InChIInChI=1S/C15H23N5O2/c1-10-7-11(2)20(18-10)9-14-8-19(5-6-21-14)12(3)15-17-16-13(4)22-15/h7,12,14H,5-6,8-9H2,1-4H3/t12-,14-/m0/s1
InChIKeyCLLPFHOPBYZJGQ-JSGCOSHPSA-N
MW305.38 g/mol
LogP1.65
Rot. Bonds4

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

(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine (PubChem CID 95274096) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
PubChem CID95274096
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
SMILESCc1cc(C)n(C[C@@H]2CN([C@@H](C)c3nnc(C)o3)CCO2)n1
InChIInChI=1S/C15H23N5O2/c1-10-7-11(2)20(18-10)9-14-8-19(5-6-21-14)12(3)15-17-16-13(4)22-15/h7,12,14H,5-6,8-9H2,1-4H3/t12-,14-/m0/s1
InChIKeyCLLPFHOPBYZJGQ-JSGCOSHPSA-N
XLogP1.65
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 86895528
(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 100842044
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 95276667
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 95284417
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
4-amino-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pentan-1-one
CID 120565469
(2R)-2-cyclohexyl-4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 129345080
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98723473
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704456
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98768792
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95276399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine?
The IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine (CID 95274096) is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine.
What is the SMILES notation for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine?
The canonical SMILES for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine is Cc1cc(C)n(C[C@@H]2CN([C@@H](C)c3nnc(C)o3)CCO2)n1.
What is the InChIKey of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine?
The InChIKey is CLLPFHOPBYZJGQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-7-11(2)20(18-10)9-14-8-19(5-6-21-14)12(3)15-17-16-13(4)22-15/h7,12,14H,5-6,8-9H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine?
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine has a molecular weight of 305.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine is sourced from PubChem (CID 95274096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).