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

C23H20ClFN4O3 — CID 19492351

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3cnn(Cc4c(F)cccc4Cl)c3)noc2C)cc1
InChIInChI=1S/C23H20ClFN4O3/c1-14-6-8-17(9-7-14)31-13-19-15(2)32-28-22(19)23(30)27-16-10-26-29(11-16)12-18-20(24)4-3-5-21(18)25/h3-11H,12-13H2,1-2H3,(H,27,30)
InChIKeySQYDUQBSSLQBBP-UHFFFAOYSA-N
MW454.89 g/mol
LogP5.16
Rot. Bonds7

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

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19492351) has the molecular formula C23H20ClFN4O3 and a molecular weight of 454.89 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19492351
Molecular FormulaC23H20ClFN4O3
Molecular Weight454.89 g/mol
Exact Mass454.12
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3cnn(Cc4c(F)cccc4Cl)c3)noc2C)cc1
InChIInChI=1S/C23H20ClFN4O3/c1-14-6-8-17(9-7-14)31-13-19-15(2)32-28-22(19)23(30)27-16-10-26-29(11-16)12-18-20(24)4-3-5-21(18)25/h3-11H,12-13H2,1-2H3,(H,27,30)
InChIKeySQYDUQBSSLQBBP-UHFFFAOYSA-N
XLogP5.16
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.89
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443754
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)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488566
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
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488442
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-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492805
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19410339
4-[(4-chlorophenoxy)methyl]-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443868
4-[(4-ethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444620
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484277

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19492351) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2c(C(=O)Nc3cnn(Cc4c(F)cccc4Cl)c3)noc2C)cc1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SQYDUQBSSLQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O3/c1-14-6-8-17(9-7-14)31-13-19-15(2)32-28-22(19)23(30)27-16-10-26-29(11-16)12-18-20(24)4-3-5-21(18)25/h3-11H,12-13H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 454.89 g/mol, XLogP of 5.16, 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]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).