N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C22H17Cl2FN4O3 — CID 19443754

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1COc1ccc(Cl)cc1
InChIInChI=1S/C22H17Cl2FN4O3/c1-13-18(12-31-16-7-5-14(23)6-8-16)21(28-32-13)22(30)27-15-9-26-29(10-15)11-17-19(24)3-2-4-20(17)25/h2-10H,11-12H2,1H3,(H,27,30)
InChIKeyFJUXCPKPIDNSFV-UHFFFAOYSA-N
MW475.31 g/mol
LogP5.51
Rot. Bonds7

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19443754) has the molecular formula C22H17Cl2FN4O3 and a molecular weight of 475.31 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19443754
Molecular FormulaC22H17Cl2FN4O3
Molecular Weight475.31 g/mol
Exact Mass474.07
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1COc1ccc(Cl)cc1
InChIInChI=1S/C22H17Cl2FN4O3/c1-13-18(12-31-16-7-5-14(23)6-8-16)21(28-32-13)22(30)27-15-9-26-29(10-15)11-17-19(24)3-2-4-20(17)25/h2-10H,11-12H2,1H3,(H,27,30)
InChIKeyFJUXCPKPIDNSFV-UHFFFAOYSA-N
XLogP5.51
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.31
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492351
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490544
N-(1-benzylpyrazol-4-yl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443682
4-[(4-chlorophenoxy)methyl]-N-(1-ethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443858
4-[(4-chlorophenoxy)methyl]-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443868
N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488566
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492805
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488442
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442899
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19410339
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444359
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492737

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19443754) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1COc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FJUXCPKPIDNSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN4O3/c1-13-18(12-31-16-7-5-14(23)6-8-16)21(28-32-13)22(30)27-15-9-26-29(10-15)11-17-19(24)3-2-4-20(17)25/h2-10H,11-12H2,1H3,(H,27,30).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 475.31 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).