5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide

C20H21N5O2 — CID 121109096

IUPAC5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H21N5O2/c26-20(17-12-18(27-24-17)16-4-2-1-3-5-16)23-13-15-6-10-25(11-7-15)19-14-21-8-9-22-19/h1-5,8-9,12,14-15H,6-7,10-11,13H2,(H,23,26)
InChIKeyYALSKZSYMQTZQX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.78
Rot. Bonds5

About 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 121109096) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID121109096
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H21N5O2/c26-20(17-12-18(27-24-17)16-4-2-1-3-5-16)23-13-15-6-10-25(11-7-15)19-14-21-8-9-22-19/h1-5,8-9,12,14-15H,6-7,10-11,13H2,(H,23,26)
InChIKeyYALSKZSYMQTZQX-UHFFFAOYSA-N
XLogP2.78
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786575
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129247026
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 37313292
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 71786550
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide
CID 71786603
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 71786573
4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 121109069
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 121109096) is 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCN(c2cnccn2)CC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YALSKZSYMQTZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(17-12-18(27-24-17)16-4-2-1-3-5-16)23-13-15-6-10-25(11-7-15)19-14-21-8-9-22-19/h1-5,8-9,12,14-15H,6-7,10-11,13H2,(H,23,26).
What are the key properties of 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121109096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).