4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

C18H21N5O2 — CID 56802768

IUPAC4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCc1ccc(-c2cc(CN3CCOC(Cn4cncn4)C3)on2)cc1
InChIInChI=1S/C18H21N5O2/c1-14-2-4-15(5-3-14)18-8-16(25-21-18)9-22-6-7-24-17(10-22)11-23-13-19-12-20-23/h2-5,8,12-13,17H,6-7,9-11H2,1H3
InChIKeyFGZZLVSLLFHAPY-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.14
Rot. Bonds5

About 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 56802768) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID56802768
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCc1ccc(-c2cc(CN3CCOC(Cn4cncn4)C3)on2)cc1
InChIInChI=1S/C18H21N5O2/c1-14-2-4-15(5-3-14)18-8-16(25-21-18)9-22-6-7-24-17(10-22)11-23-13-19-12-20-23/h2-5,8,12-13,17H,6-7,9-11H2,1H3
InChIKeyFGZZLVSLLFHAPY-UHFFFAOYSA-N
XLogP2.14
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978882
(2R)-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350971
3-(4-methylphenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95609947
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872
(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95346647
(2R)-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350905
(2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95610072
4-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 154748031
(2R)-4-(1,3-benzothiazol-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978871
3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
CID 15074731
3-(4-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 65449393
(2S)-4-(3-methylbut-2-enyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978876

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 56802768) is 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is Cc1ccc(-c2cc(CN3CCOC(Cn4cncn4)C3)on2)cc1.
What is the InChIKey of 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is FGZZLVSLLFHAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-14-2-4-15(5-3-14)18-8-16(25-21-18)9-22-6-7-24-17(10-22)11-23-13-19-12-20-23/h2-5,8,12-13,17H,6-7,9-11H2,1H3.
What are the key properties of 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 339.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 56802768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).