N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide

C18H20N4O2 — CID 57944900

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
SMILESCC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)CCC3=CC=CC=C3
InChIInChI=1S/C18H20N4O2/c1-13-17(14(2)24-21-13)12-22-11-16(10-19-22)20-18(23)9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,23)
InChIKeyJKAJPHSPUXXYJI-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.10
Rot. Bonds6

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide (PubChem CID 57944900) has the molecular formula C18H20N4O2 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
PubChem CID57944900
Molecular FormulaC18H20N4O2
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
SMILESCC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)CCC3=CC=CC=C3
InChIInChI=1S/C18H20N4O2/c1-13-17(14(2)24-21-13)12-22-11-16(10-19-22)20-18(23)9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,23)
InChIKeyJKAJPHSPUXXYJI-UHFFFAOYSA-N
XLogP2.10
TPSA73.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity414

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
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CID 24790939
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[4-(5-isoxazolyl)phenyl]propanamide
CID 24790950
5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
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N-(1-benzylpyrazol-4-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4451622
N-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-phenyl-3-isoxazolecarboxamide
CID 2962287
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 25206166
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
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2-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)isoindoline-1,3-dione
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1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
3-((3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2,4-dioxoimidazolidin-1-yl)methyl)-N-methylbenzamide
CID 57422430
2-((3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile
CID 57422441

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide (CID 57944900) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide is CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)CCC3=CC=CC=C3.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide?
The InChIKey is JKAJPHSPUXXYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-17(14(2)24-21-13)12-22-11-16(10-19-22)20-18(23)9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide has a molecular weight of 324.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 57944900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).