N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C22H19ClN4O2 — CID 16600619

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-17(18)15-27-20(12-13-25-27)26-21(28)10-11-22-24-14-19(29-22)16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2,(H,26,28)
InChIKeyJJVBSMXFUSMYJB-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.81
Rot. Bonds7

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 16600619) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID16600619
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-17(18)15-27-20(12-13-25-27)26-21(28)10-11-22-24-14-19(29-22)16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2,(H,26,28)
InChIKeyJJVBSMXFUSMYJB-UHFFFAOYSA-N
XLogP4.81
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16600622
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 16601738
N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29492909
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 55778400
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
CID 30175942
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037469
N-[1-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51310753
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 16560066
N-[3-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630834

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 16600619) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is JJVBSMXFUSMYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-17(18)15-27-20(12-13-25-27)26-21(28)10-11-22-24-14-19(29-22)16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2,(H,26,28).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 406.87 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 16600619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).