N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide

C20H25N3O5 — CID 146039683

IUPACN-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC[C@@H]1O
InChIInChI=1S/C20H25N3O5/c1-13-15(22-20(28-13)14-6-4-3-5-7-14)10-19(26)23-9-8-17(24)16(11-23)21-18(25)12-27-2/h3-7,16-17,24H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyYOQXVISQMIKFAG-SJORKVTESA-N
MW387.44 g/mol
LogP0.92
Rot. Bonds6

About N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide

N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 146039683) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide
PubChem CID146039683
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC[C@@H]1O
InChIInChI=1S/C20H25N3O5/c1-13-15(22-20(28-13)14-6-4-3-5-7-14)10-19(26)23-9-8-17(24)16(11-23)21-18(25)12-27-2/h3-7,16-17,24H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyYOQXVISQMIKFAG-SJORKVTESA-N
XLogP0.92
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
formic acid;2-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]pyrrolidin-3-yl]acetic acid
CID 155940487
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55950520
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629799
(3aS,6aS)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 154570959
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 31913134
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229706
N,N-diethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 55513764

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide (CID 146039683) is N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC[C@@H]1O.
What is the InChIKey of N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is YOQXVISQMIKFAG-SJORKVTESA-N. The full InChI is InChI=1S/C20H25N3O5/c1-13-15(22-20(28-13)14-6-4-3-5-7-14)10-19(26)23-9-8-17(24)16(11-23)21-18(25)12-27-2/h3-7,16-17,24H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide?
N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 387.44 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 146039683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).