N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C16H19ClN2O4 — CID 5309288

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl
InChIInChI=1S/C16H19ClN2O4/c1-9(2)5-10-6-13(19-23-10)16(20)18-12-8-14(21-3)11(17)7-15(12)22-4/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyGKWHUSGRRSYSTE-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.80
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 5309288) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID5309288
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl
InChIInChI=1S/C16H19ClN2O4/c1-9(2)5-10-6-13(19-23-10)16(20)18-12-8-14(21-3)11(17)7-15(12)22-4/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyGKWHUSGRRSYSTE-UHFFFAOYSA-N
XLogP3.80
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 5309288) is N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is COc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GKWHUSGRRSYSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-9(2)5-10-6-13(19-23-10)16(20)18-12-8-14(21-3)11(17)7-15(12)22-4/h6-9H,5H2,1-4H3,(H,18,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 3.80, 6 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)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).