N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide

C20H13Cl2N3O2S — CID 53432877

IUPACN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1N(C=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H13Cl2N3O2S/c1-12-19(18(24-27-12)17-14(21)8-5-9-15(17)22)25(11-26)20-23-16(10-28-20)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyGQSWKMHGQBZGTI-UHFFFAOYSA-N
MW430.32 g/mol
LogP6.37
Rot. Bonds5

About N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide

N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide (PubChem CID 53432877) has the molecular formula C20H13Cl2N3O2S and a molecular weight of 430.32 g/mol. Its IUPAC name is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide
PubChem CID53432877
Molecular FormulaC20H13Cl2N3O2S
Molecular Weight430.32 g/mol
Exact Mass429.01
IUPAC NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1N(C=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H13Cl2N3O2S/c1-12-19(18(24-27-12)17-14(21)8-5-9-15(17)22)25(11-26)20-23-16(10-28-20)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyGQSWKMHGQBZGTI-UHFFFAOYSA-N
XLogP6.37
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.32
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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]-N-(4-phenyl-1,3-thiazol-2-yl)formamide?
The IUPAC name of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide (CID 53432877) is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide.
What is the SMILES notation for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide?
The canonical SMILES for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide is Cc1onc(-c2c(Cl)cccc2Cl)c1N(C=O)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide?
The InChIKey is GQSWKMHGQBZGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O2S/c1-12-19(18(24-27-12)17-14(21)8-5-9-15(17)22)25(11-26)20-23-16(10-28-20)13-6-3-2-4-7-13/h2-11H,1H3.
What are the key properties of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide?
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide has a molecular weight of 430.32 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 53432877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).