5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide

C20H15Cl2N5O4 — CID 19398264

IUPAC5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c1C(=O)NCc1ccco1
InChIInChI=1S/C20H15Cl2N5O4/c1-27-18(20(29)23-9-12-3-2-6-30-12)16(10-24-27)25-19(28)15-8-17(31-26-15)13-5-4-11(21)7-14(13)22/h2-8,10H,9H2,1H3,(H,23,29)(H,25,28)
InChIKeyRYRIFZRDZMOITR-UHFFFAOYSA-N
MW460.28 g/mol
LogP4.16
Rot. Bonds6

About 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide

5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19398264) has the molecular formula C20H15Cl2N5O4 and a molecular weight of 460.28 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID19398264
Molecular FormulaC20H15Cl2N5O4
Molecular Weight460.28 g/mol
Exact Mass459.05
IUPAC Name5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c1C(=O)NCc1ccco1
InChIInChI=1S/C20H15Cl2N5O4/c1-27-18(20(29)23-9-12-3-2-6-30-12)16(10-24-27)25-19(28)15-8-17(31-26-15)13-5-4-11(21)7-14(13)22/h2-8,10H,9H2,1H3,(H,23,29)(H,25,28)
InChIKeyRYRIFZRDZMOITR-UHFFFAOYSA-N
XLogP4.16
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.28
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398268
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19581349
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398057
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398223
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398213
1-[2-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502280
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19330947
1-[1-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506277

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 19398264) is 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide is Cn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c1C(=O)NCc1ccco1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is RYRIFZRDZMOITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O4/c1-27-18(20(29)23-9-12-3-2-6-30-12)16(10-24-27)25-19(28)15-8-17(31-26-15)13-5-4-11(21)7-14(13)22/h2-8,10H,9H2,1H3,(H,23,29)(H,25,28).
What are the key properties of 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 460.28 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19398264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).