[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone

C20H22N4O2 — CID 72935518

IUPAC[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2conc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N4O2/c1-2-23-13-10-21-19(23)16-8-11-24(12-9-16)20(25)17-14-26-22-18(17)15-6-4-3-5-7-15/h3-7,10,13-14,16H,2,8-9,11-12H2,1H3
InChIKeyXDMSRBUUDSVCIP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.58
Rot. Bonds4

About [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone

[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 72935518) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID72935518
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2conc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N4O2/c1-2-23-13-10-21-19(23)16-8-11-24(12-9-16)20(25)17-14-26-22-18(17)15-6-4-3-5-7-15/h3-7,10,13-14,16H,2,8-9,11-12H2,1H3
InChIKeyXDMSRBUUDSVCIP-UHFFFAOYSA-N
XLogP3.58
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 72932090
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 74236610
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 74240394
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 72866686
2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97279082
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 70761884
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 72932343
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 72897232

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone (CID 72935518) is [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone is CCn1ccnc1C1CCN(C(=O)c2conc2-c2ccccc2)CC1.
What is the InChIKey of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is XDMSRBUUDSVCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-23-13-10-21-19(23)16-8-11-24(12-9-16)20(25)17-14-26-22-18(17)15-6-4-3-5-7-15/h3-7,10,13-14,16H,2,8-9,11-12H2,1H3.
What are the key properties of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone?
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 72935518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).