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

C16H13Cl2N3O2S — CID 86836013

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)s1
InChIInChI=1S/C16H13Cl2N3O2S/c1-8-13(16(22)20-7-10-6-19-9(2)24-10)15(21-23-8)14-11(17)4-3-5-12(14)18/h3-6H,7H2,1-2H3,(H,20,22)
InChIKeyWTKTWBITZUDGCO-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.65
Rot. Bonds4

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

3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 86836013) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID86836013
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)s1
InChIInChI=1S/C16H13Cl2N3O2S/c1-8-13(16(22)20-7-10-6-19-9(2)24-10)15(21-23-8)14-11(17)4-3-5-12(14)18/h3-6H,7H2,1-2H3,(H,20,22)
InChIKeyWTKTWBITZUDGCO-UHFFFAOYSA-N
XLogP4.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 1070191
3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 56807943
N-[(2-bromophenyl)methyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 46232351
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
3-(2,6-dichlorophenyl)-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 718172
3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3360708
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60516631
5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 155949179
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32826150
N-(cyclobutylmethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 33383648

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide (CID 86836013) is 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1ncc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)s1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is WTKTWBITZUDGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-8-13(16(22)20-7-10-6-19-9(2)24-10)15(21-23-8)14-11(17)4-3-5-12(14)18/h3-6H,7H2,1-2H3,(H,20,22).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 382.27 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 86836013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).