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

C22H21ClN6O2 — CID 11293514

IUPAC3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine
SMILESCc1cc(-c2nnc(N3CCOCC3c3cc(-c4cccc(Cl)c4)on3)n2C)ccn1
InChIInChI=1S/C22H21ClN6O2/c1-14-10-16(6-7-24-14)21-25-26-22(28(21)2)29-8-9-30-13-19(29)18-12-20(31-27-18)15-4-3-5-17(23)11-15/h3-7,10-12,19H,8-9,13H2,1-2H3
InChIKeyLYEQBBQRMHTEDB-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.07
Rot. Bonds4

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

3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 11293514) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID11293514
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine
SMILESCc1cc(-c2nnc(N3CCOCC3c3cc(-c4cccc(Cl)c4)on3)n2C)ccn1
InChIInChI=1S/C22H21ClN6O2/c1-14-10-16(6-7-24-14)21-25-26-22(28(21)2)29-8-9-30-13-19(29)18-12-20(31-27-18)15-4-3-5-17(23)11-15/h3-7,10-12,19H,8-9,13H2,1-2H3
InChIKeyLYEQBBQRMHTEDB-UHFFFAOYSA-N
XLogP4.07
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-[(2R)-2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 25241835
4-[5-[(2R)-2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
CID 59006686
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine
CID 11785100
4-[4-methyl-5-[(2R)-2-[5-(3-methylphenyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 59006672
5-(3-chlorophenyl)-3-[[3-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]methyl]-1,2-oxazole
CID 24878175
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine
CID 78151272
5-(3-chlorophenyl)-3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxymethyl]-1,2-oxazole
CID 67070701
3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline
CID 70311636
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
CID 143435495
4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 22037207
tert-butyl (6R,8aS)-6-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 58812248
(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97344130

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine (CID 11293514) is 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine is Cc1cc(-c2nnc(N3CCOCC3c3cc(-c4cccc(Cl)c4)on3)n2C)ccn1.
What is the InChIKey of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is LYEQBBQRMHTEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-14-10-16(6-7-24-14)21-25-26-22(28(21)2)29-8-9-30-13-19(29)18-12-20(31-27-18)15-4-3-5-17(23)11-15/h3-7,10-12,19H,8-9,13H2,1-2H3.
What are the key properties of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine?
3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 436.90 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 11293514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).