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

C17H19N5O2 — CID 154741352

IUPAC4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1cn[nH]c1CN1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H19N5O2/c1-12-9-18-20-14(12)10-22-7-8-23-11-15(22)17-19-16(21-24-17)13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3,(H,18,20)
InChIKeyQJADLLGHASXQQS-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.34
Rot. Bonds4

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

4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 154741352) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID154741352
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1cn[nH]c1CN1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H19N5O2/c1-12-9-18-20-14(12)10-22-7-8-23-11-15(22)17-19-16(21-24-17)13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3,(H,18,20)
InChIKeyQJADLLGHASXQQS-UHFFFAOYSA-N
XLogP2.34
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
CID 125141312
4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 126799625
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine
CID 99825862
ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate
CID 129009308
(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
CID 124944669
3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 129385924
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine
CID 99825829
5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 50963117
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 119037918
(3S)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)morpholine
CID 124984162
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 91663021

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 154741352) is 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is Cc1cn[nH]c1CN1CCOCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is QJADLLGHASXQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-9-18-20-14(12)10-22-7-8-23-11-15(22)17-19-16(21-24-17)13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 325.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 154741352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).