1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine

C27H35N3O2 — CID 25453648

IUPAC1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCOCCN1CCC(CN(C)Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)CC1
InChIInChI=1S/C27H35N3O2/c1-21-26(20-29(2)19-22-13-15-30(16-14-22)17-18-31-3)28-27(32-21)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-12,22H,13-20H2,1-3H3
InChIKeySUPAPPLOVRHTDB-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.11
Rot. Bonds9

About 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine

1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine (PubChem CID 25453648) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
PubChem CID25453648
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCOCCN1CCC(CN(C)Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)CC1
InChIInChI=1S/C27H35N3O2/c1-21-26(20-29(2)19-22-13-15-30(16-14-22)17-18-31-3)28-27(32-21)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-12,22H,13-20H2,1-3H3
InChIKeySUPAPPLOVRHTDB-UHFFFAOYSA-N
XLogP5.11
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 25293570
N-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-methylmethanamine
CID 42394324
methyl 4-[4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 45173206
N-[benzyl(methyl)sulfamoyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylmethanamine
CID 131941133
N-benzyl-1-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-N-methylmethanamine
CID 56509250
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 134696870
2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42210352
(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine
CID 29124095
(4R)-1-ethyl-4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 26322446
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-amine
CID 71879901
4-methoxy-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 20955807
(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95352032

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine (CID 25453648) is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine is COCCN1CCC(CN(C)Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The InChIKey is SUPAPPLOVRHTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-21-26(20-29(2)19-22-13-15-30(16-14-22)17-18-31-3)28-27(32-21)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-12,22H,13-20H2,1-3H3.
What are the key properties of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine has a molecular weight of 433.60 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]methanamine is sourced from PubChem (CID 25453648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).