3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

C20H27N3O2 — CID 95147475

IUPAC3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)CCN(C)Cc2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C20H27N3O2/c1-16-7-6-11-23(14-16)20(24)10-12-22(2)15-18-13-19(25-21-18)17-8-4-3-5-9-17/h3-5,8-9,13,16H,6-7,10-12,14-15H2,1-2H3/t16-/m0/s1
InChIKeyXTAZSCIREKFYTP-INIZCTEOSA-N
MW341.45 g/mol
LogP3.42
Rot. Bonds6

About 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 95147475) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID95147475
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)CCN(C)Cc2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C20H27N3O2/c1-16-7-6-11-23(14-16)20(24)10-12-22(2)15-18-13-19(25-21-18)17-8-4-3-5-9-17/h3-5,8-9,13,16H,6-7,10-12,14-15H2,1-2H3/t16-/m0/s1
InChIKeyXTAZSCIREKFYTP-INIZCTEOSA-N
XLogP3.42
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 16878575
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
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3-(N-benzylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032883
1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026177
[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 28783501
N-(2-fluorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113126709
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110333046
1-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 114952613
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
3-benzylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (CID 95147475) is 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is C[C@H]1CCCN(C(=O)CCN(C)Cc2cc(-c3ccccc3)on2)C1.
What is the InChIKey of 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is XTAZSCIREKFYTP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-7-6-11-23(14-16)20(24)10-12-22(2)15-18-13-19(25-21-18)17-8-4-3-5-9-17/h3-5,8-9,13,16H,6-7,10-12,14-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 341.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 95147475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).