3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

C22H20ClN5O3 — CID 136589712

IUPAC3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1-c1noc(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C22H20ClN5O3/c1-13-18(22(28(3)26-13)30-17-9-7-15(23)8-10-17)20-19(14(2)31-27-20)21(29)25-12-16-6-4-5-11-24-16/h4-11H,12H2,1-3H3,(H,25,29)
InChIKeyXRAZCQBBNKZABC-UHFFFAOYSA-N
MW437.89 g/mol
LogP4.46
Rot. Bonds6

About 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 136589712) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID136589712
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC Name3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1-c1noc(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C22H20ClN5O3/c1-13-18(22(28(3)26-13)30-17-9-7-15(23)8-10-17)20-19(14(2)31-27-20)21(29)25-12-16-6-4-5-11-24-16/h4-11H,12H2,1-3H3,(H,25,29)
InChIKeyXRAZCQBBNKZABC-UHFFFAOYSA-N
XLogP4.46
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 136589669
3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 136589758
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
CID 54541897
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682415
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087205
3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 136590484
3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90596115
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 136589712) is 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1nn(C)c(Oc2ccc(Cl)cc2)c1-c1noc(C)c1C(=O)NCc1ccccn1.
What is the InChIKey of 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is XRAZCQBBNKZABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c1-13-18(22(28(3)26-13)30-17-9-7-15(23)8-10-17)20-19(14(2)31-27-20)21(29)25-12-16-6-4-5-11-24-16/h4-11H,12H2,1-3H3,(H,25,29).
What are the key properties of 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 437.89 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 136589712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).