methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate

C18H19ClN4O4 — CID 19852785

IUPACmethyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
SMILESCOC(=O)C1(C)CN(C(=O)Nc2c(C)noc2C)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O4/c1-10-14(11(2)27-22-10)20-17(25)23-9-18(3,16(24)26-4)15(21-23)12-5-7-13(19)8-6-12/h5-8H,9H2,1-4H3,(H,20,25)
InChIKeyOBHSKIHPIKGVPY-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.38
Rot. Bonds3

About methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate

methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate (PubChem CID 19852785) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
PubChem CID19852785
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC Namemethyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
SMILESCOC(=O)C1(C)CN(C(=O)Nc2c(C)noc2C)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O4/c1-10-14(11(2)27-22-10)20-17(25)23-9-18(3,16(24)26-4)15(21-23)12-5-7-13(19)8-6-12/h5-8H,9H2,1-4H3,(H,20,25)
InChIKeyOBHSKIHPIKGVPY-UHFFFAOYSA-N
XLogP3.38
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate (CID 19852785) is methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate is COC(=O)C1(C)CN(C(=O)Nc2c(C)noc2C)N=C1c1ccc(Cl)cc1.
What is the InChIKey of methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate?
The InChIKey is OBHSKIHPIKGVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4/c1-10-14(11(2)27-22-10)20-17(25)23-9-18(3,16(24)26-4)15(21-23)12-5-7-13(19)8-6-12/h5-8H,9H2,1-4H3,(H,20,25).
What are the key properties of methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate?
methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate has a molecular weight of 390.83 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate is sourced from PubChem (CID 19852785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).