N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide

C22H19ClN4O2 — CID 29492909

IUPACN-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-17(18)19-14-24-22(29-19)11-10-21(28)26-20-12-13-25-27(20)15-16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2,(H,26,28)
InChIKeyDWPBSRKOYCQKML-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.81
Rot. Bonds7

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

N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 29492909) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID29492909
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-17(18)19-14-24-22(29-19)11-10-21(28)26-20-12-13-25-27(20)15-16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2,(H,26,28)
InChIKeyDWPBSRKOYCQKML-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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 55778400
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16600622
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16600619
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
CID 30175942
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16598980
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 24676617
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 16601738
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 16600031
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 24612254
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
CID 32893547
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
CID 18137997

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 29492909) is N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is DWPBSRKOYCQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-17(18)19-14-24-22(29-19)11-10-21(28)26-20-12-13-25-27(20)15-16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2,(H,26,28).
What are the key properties of N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-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-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 29492909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).