N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C23H21ClN4O3 — CID 3235585

IUPACN-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1
InChIInChI=1S/C23H21ClN4O3/c1-14-22(15(2)28(26-14)13-16-4-8-18(24)9-5-16)25-23(29)20-12-21(31-27-20)17-6-10-19(30-3)11-7-17/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeySWAFIHWZDFJQOS-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.12
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3235585) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3235585
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1
InChIInChI=1S/C23H21ClN4O3/c1-14-22(15(2)28(26-14)13-16-4-8-18(24)9-5-16)25-23(29)20-12-21(31-27-20)17-6-10-19(30-3)11-7-17/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeySWAFIHWZDFJQOS-UHFFFAOYSA-N
XLogP5.12
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}[5-(3-methoxyphenyl)iso xazol-3-yl]carboxamide
CID 15988736
N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016616
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 15988675
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 3236272
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(2,5-dimethoxyphenyl)isoxazole-3-carboxamide
CID 3236902
N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide
CID 3237184
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 3237644
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3238250
5-(1,3-benzodioxol-5-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 3239067
N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3240004
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3240170
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(3,4-dimethoxyphenyl)isoxazole-3-carboxamide
CID 3240435

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3235585) is N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SWAFIHWZDFJQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-14-22(15(2)28(26-14)13-16-4-8-18(24)9-5-16)25-23(29)20-12-21(31-27-20)17-6-10-19(30-3)11-7-17/h4-12H,13H2,1-3H3,(H,25,29).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3235585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).