(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

C20H24N6O2 — CID 126435717

IUPAC(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccn2)no1)N1CCCC[C@H]1CCn1ccnc1
InChIInChI=1S/C20H24N6O2/c27-20(23-14-17-13-19(24-28-17)18-6-1-3-8-22-18)26-10-4-2-5-16(26)7-11-25-12-9-21-15-25/h1,3,6,8-9,12-13,15-16H,2,4-5,7,10-11,14H2,(H,23,27)/t16-/m0/s1
InChIKeyBMIAXRVGWKZZSC-INIZCTEOSA-N
MW380.45 g/mol
LogP3.09
Rot. Bonds6

About (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 126435717) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID126435717
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccn2)no1)N1CCCC[C@H]1CCn1ccnc1
InChIInChI=1S/C20H24N6O2/c27-20(23-14-17-13-19(24-28-17)18-6-1-3-8-22-18)26-10-4-2-5-16(26)7-11-25-12-9-21-15-25/h1,3,6,8-9,12-13,15-16H,2,4-5,7,10-11,14H2,(H,23,27)/t16-/m0/s1
InChIKeyBMIAXRVGWKZZSC-INIZCTEOSA-N
XLogP3.09
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95722375
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138810233
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 97128469
(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95716356
N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 56902565
3-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 56744202
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126439146
2-(4-acetylphenoxy)-1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]ethanone
CID 96572781
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (CID 126435717) is (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is O=C(NCc1cc(-c2ccccn2)no1)N1CCCC[C@H]1CCn1ccnc1.
What is the InChIKey of (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is BMIAXRVGWKZZSC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-20(23-14-17-13-19(24-28-17)18-6-1-3-8-22-18)26-10-4-2-5-16(26)7-11-25-12-9-21-15-25/h1,3,6,8-9,12-13,15-16H,2,4-5,7,10-11,14H2,(H,23,27)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126435717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).