2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide

C23H21ClN4O3 — CID 71837427

IUPAC2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3nc(Cn4cccn4)c(C)o3)cc2)cc1Cl
InChIInChI=1S/C23H21ClN4O3/c1-15-20(14-28-11-3-10-25-28)27-23(31-15)17-5-7-18(8-6-17)26-22(29)13-16-4-9-21(30-2)19(24)12-16/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyMLBJMPMMESQUTH-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.74
Rot. Bonds7

About 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide

2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide (PubChem CID 71837427) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide
PubChem CID71837427
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3nc(Cn4cccn4)c(C)o3)cc2)cc1Cl
InChIInChI=1S/C23H21ClN4O3/c1-15-20(14-28-11-3-10-25-28)27-23(31-15)17-5-7-18(8-6-17)26-22(29)13-16-4-9-21(30-2)19(24)12-16/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyMLBJMPMMESQUTH-UHFFFAOYSA-N
XLogP4.74
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]propanamide
CID 53168528
2-methoxy-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837458
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837442
3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837420
N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371709
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848128
N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]-2-(2-methylphenyl)acetamide
CID 71837375
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767105
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120
N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide (CID 71837427) is 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(-c3nc(Cn4cccn4)c(C)o3)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide?
The InChIKey is MLBJMPMMESQUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-15-20(14-28-11-3-10-25-28)27-23(31-15)17-5-7-18(8-6-17)26-22(29)13-16-4-9-21(30-2)19(24)12-16/h3-12H,13-14H2,1-2H3,(H,26,29).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide?
2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide has a molecular weight of 436.90 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 71837427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).