1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone

C19H20N4O2 — CID 95313838

IUPAC1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1coc(-c2ccccc2)n1)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C19H20N4O2/c24-18(22-9-4-7-17(12-22)23-10-8-20-14-23)11-16-13-25-19(21-16)15-5-2-1-3-6-15/h1-3,5-6,8,10,13-14,17H,4,7,9,11-12H2/t17-/m0/s1
InChIKeySDBQYVGCROYKAQ-KRWDZBQOSA-N
MW336.40 g/mol
LogP2.94
Rot. Bonds4

About 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone (PubChem CID 95313838) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
PubChem CID95313838
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1coc(-c2ccccc2)n1)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C19H20N4O2/c24-18(22-9-4-7-17(12-22)23-10-8-20-14-23)11-16-13-25-19(21-16)15-5-2-1-3-6-15/h1-3,5-6,8,10,13-14,17H,4,7,9,11-12H2/t17-/m0/s1
InChIKeySDBQYVGCROYKAQ-KRWDZBQOSA-N
XLogP2.94
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone;hydrochloride
CID 119491676
2-imidazo[1,2-a]pyridin-2-yl-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313099
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
CID 95341515
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 95314197
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95313767
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 95346883
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 95313726
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone;hydrochloride
CID 119596276
N-(2-aminoethyl)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481974

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone (CID 95313838) is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone is O=C(Cc1coc(-c2ccccc2)n1)N1CCC[C@H](n2ccnc2)C1.
What is the InChIKey of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is SDBQYVGCROYKAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(22-9-4-7-17(12-22)23-10-8-20-14-23)11-16-13-25-19(21-16)15-5-2-1-3-6-15/h1-3,5-6,8,10,13-14,17H,4,7,9,11-12H2/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 336.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 95313838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).