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

C18H21N5O2 — CID 164626100

IUPAC(3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1cnn(C)c1CN1CCOC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H21N5O2/c1-13-10-19-22(2)15(13)11-23-8-9-24-12-16(23)18-20-17(21-25-18)14-6-4-3-5-7-14/h3-7,10,16H,8-9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyBSWWSESRSZMKHR-INIZCTEOSA-N
MW339.40 g/mol
LogP2.35
Rot. Bonds4

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

(3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 164626100) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID164626100
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1cnn(C)c1CN1CCOC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H21N5O2/c1-13-10-19-22(2)15(13)11-23-8-9-24-12-16(23)18-20-17(21-25-18)14-6-4-3-5-7-14/h3-7,10,16H,8-9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyBSWWSESRSZMKHR-INIZCTEOSA-N
XLogP2.35
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 164626100) is (3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is Cc1cnn(C)c1CN1CCOC[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of (3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is BSWWSESRSZMKHR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-10-19-22(2)15(13)11-23-8-9-24-12-16(23)18-20-17(21-25-18)14-6-4-3-5-7-14/h3-7,10,16H,8-9,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
(3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 339.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(1,4-dimethylpyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 164626100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).