N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C19H15Cl2FN2O4 — CID 1129479

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(OC)cc1Cl
InChIInChI=1S/C19H15Cl2FN2O4/c1-9-16(18(24-28-9)17-10(20)5-4-6-12(17)22)19(25)23-13-8-14(26-2)11(21)7-15(13)27-3/h4-8H,1-3H3,(H,23,25)
InChIKeyMJDOQRXNTHEXCH-UHFFFAOYSA-N
MW425.24 g/mol
LogP5.37
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1129479) has the molecular formula C19H15Cl2FN2O4 and a molecular weight of 425.24 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1129479
Molecular FormulaC19H15Cl2FN2O4
Molecular Weight425.24 g/mol
Exact Mass424.04
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(OC)cc1Cl
InChIInChI=1S/C19H15Cl2FN2O4/c1-9-16(18(24-28-9)17-10(20)5-4-6-12(17)22)19(25)23-13-8-14(26-2)11(21)7-15(13)27-3/h4-8H,1-3H3,(H,23,25)
InChIKeyMJDOQRXNTHEXCH-UHFFFAOYSA-N
XLogP5.37
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.24
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 1050479
3-(2-chlorophenyl)-5-methyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 6483814
N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 741168
3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129478
N-(4-chloro-2,5-dimethoxyphenyl)(5-methyl(4,5,6,7-tetrahydrobenzo[2,1-d]isoxaz ol-3-yl))carboxamide
CID 16023562
3-(2-chloro-6-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 25163787
3-(2-chloro-6-fluorophenyl)-N-(4-methoxy-3-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1320111
N-(4-chloro-2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3245608
3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4879502
Isoxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methoxy-2-nitrophenyl)-
CID 540354

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1129479) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MJDOQRXNTHEXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O4/c1-9-16(18(24-28-9)17-10(20)5-4-6-12(17)22)19(25)23-13-8-14(26-2)11(21)7-15(13)27-3/h4-8H,1-3H3,(H,23,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 425.24 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1129479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).