N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide

C19H15Cl2N5O2S — CID 2805450

IUPACN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCc1nc(C)c(-c2ccn(C(=O)Nc3c(-c4c(Cl)cccc4Cl)noc3C)n2)s1
InChIInChI=1S/C19H15Cl2N5O2S/c1-9-18(29-11(3)22-9)14-7-8-26(24-14)19(27)23-16-10(2)28-25-17(16)15-12(20)5-4-6-13(15)21/h4-8H,1-3H3,(H,23,27)
InChIKeyZNLFMHKJHHGFRS-UHFFFAOYSA-N
MW448.34 g/mol
LogP5.97
Rot. Bonds3

About N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide

N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (PubChem CID 2805450) has the molecular formula C19H15Cl2N5O2S and a molecular weight of 448.34 g/mol. Its IUPAC name is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
PubChem CID2805450
Molecular FormulaC19H15Cl2N5O2S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCc1nc(C)c(-c2ccn(C(=O)Nc3c(-c4c(Cl)cccc4Cl)noc3C)n2)s1
InChIInChI=1S/C19H15Cl2N5O2S/c1-9-18(29-11(3)22-9)14-7-8-26(24-14)19(27)23-16-10(2)28-25-17(16)15-12(20)5-4-6-13(15)21/h4-8H,1-3H3,(H,23,27)
InChIKeyZNLFMHKJHHGFRS-UHFFFAOYSA-N
XLogP5.97
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.34
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The IUPAC name of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (CID 2805450) is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is Cc1nc(C)c(-c2ccn(C(=O)Nc3c(-c4c(Cl)cccc4Cl)noc3C)n2)s1.
What is the InChIKey of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The InChIKey is ZNLFMHKJHHGFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O2S/c1-9-18(29-11(3)22-9)14-7-8-26(24-14)19(27)23-16-10(2)28-25-17(16)15-12(20)5-4-6-13(15)21/h4-8H,1-3H3,(H,23,27).
What are the key properties of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide has a molecular weight of 448.34 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 2805450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).