N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C22H20N6O2 — CID 119102738

IUPACN-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H20N6O2/c29-22(18-13-21(30-27-18)16-4-2-1-3-5-16)25-10-11-28-20(15-6-7-15)12-17(26-28)19-14-23-8-9-24-19/h1-5,8-9,12-15H,6-7,10-11H2,(H,25,29)
InChIKeyPCMAQMYPNKQAHP-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.30
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 119102738) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID119102738
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H20N6O2/c29-22(18-13-21(30-27-18)16-4-2-1-3-5-16)25-10-11-28-20(15-6-7-15)12-17(26-28)19-14-23-8-9-24-19/h1-5,8-9,12-15H,6-7,10-11H2,(H,25,29)
InChIKeyPCMAQMYPNKQAHP-UHFFFAOYSA-N
XLogP3.30
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 119102746
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxyacetamide
CID 119102754
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 119102745
1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 121019969
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 119102759
5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 121109096
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 118877101
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
CID 72718704
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 146464367

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 119102738) is N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is PCMAQMYPNKQAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-22(18-13-21(30-27-18)16-4-2-1-3-5-16)25-10-11-28-20(15-6-7-15)12-17(26-28)19-14-23-8-9-24-19/h1-5,8-9,12-15H,6-7,10-11H2,(H,25,29).
What are the key properties of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119102738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).